5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile

C80H73Cl8N23O2 — CID 157332373

IUPAC5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile
SMILESCCc1cnc(-n2c(C)cc3c(C#N)cccc32)nc1NCc1ccccc1.CCc1cnc(Cl)nc1NCc1ccccc1.Cc1cc2c(C#N)cccc2[nH]1.ClCc1cnc(Cl)nc1Cl.ClCc1cnc(Cl)nc1NCc1ccccc1.O=c1[nH]cc(CCl)c(=O)[nH]1.[N-]=[N+]=NCc1cnc(Cl)nc1NCc1ccccc1
InChIInChI=1S/C23H21N5.C13H14ClN3.C12H11Cl2N3.C12H11ClN6.C10H8N2.C5H3Cl3N2.C5H5ClN2O2/c1-3-18-15-26-23(27-22(18)25-14-17-8-5-4-6-9-17)28-16(2)12-20-19(13-24)10-7-11-21(20)28;1-2-11-9-16-13(14)17-12(11)15-8-10-6-4-3-5-7-10;13-6-10-8-16-12(14)17-11(10)15-7-9-4-2-1-3-5-9;13-12-16-7-10(8-17-19-14)11(18-12)15-6-9-4-2-1-3-5-9;1-7-5-9-8(6-11)3-2-4-10(9)12-7;6-1-3-2-9-5(8)10-4(3)7;6-1-3-2-7-5(10)8-4(3)9/h4-12,15H,3,14H2,1-2H3,(H,25,26,27);3-7,9H,2,8H2,1H3,(H,15,16,17);1-5,8H,6-7H2,(H,15,16,17);1-5,7H,6,8H2,(H,15,16,18);2-5,12H,1H3;2H,1H2;2H,1H2,(H2,7,8,9,10)
InChIKeyBFLABDISZILIPB-UHFFFAOYSA-N
MW1672.25 g/mol
LogP19.79
Rot. Bonds20

About 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile

5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile (PubChem CID 157332373) has the molecular formula C80H73Cl8N23O2 and a molecular weight of 1672.25 g/mol. Its IUPAC name is 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile
PubChem CID157332373
Molecular FormulaC80H73Cl8N23O2
Molecular Weight1672.25 g/mol
Exact Mass1667.38
IUPAC Name5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile
SMILESCCc1cnc(-n2c(C)cc3c(C#N)cccc32)nc1NCc1ccccc1.CCc1cnc(Cl)nc1NCc1ccccc1.Cc1cc2c(C#N)cccc2[nH]1.ClCc1cnc(Cl)nc1Cl.ClCc1cnc(Cl)nc1NCc1ccccc1.O=c1[nH]cc(CCl)c(=O)[nH]1.[N-]=[N+]=NCc1cnc(Cl)nc1NCc1ccccc1
InChIInChI=1S/C23H21N5.C13H14ClN3.C12H11Cl2N3.C12H11ClN6.C10H8N2.C5H3Cl3N2.C5H5ClN2O2/c1-3-18-15-26-23(27-22(18)25-14-17-8-5-4-6-9-17)28-16(2)12-20-19(13-24)10-7-11-21(20)28;1-2-11-9-16-13(14)17-12(11)15-8-10-6-4-3-5-7-10;13-6-10-8-16-12(14)17-11(10)15-7-9-4-2-1-3-5-9;13-12-16-7-10(8-17-19-14)11(18-12)15-6-9-4-2-1-3-5-9;1-7-5-9-8(6-11)3-2-4-10(9)12-7;6-1-3-2-9-5(8)10-4(3)7;6-1-3-2-7-5(10)8-4(3)9/h4-12,15H,3,14H2,1-2H3,(H,25,26,27);3-7,9H,2,8H2,1H3,(H,15,16,17);1-5,8H,6-7H2,(H,15,16,17);1-5,7H,6,8H2,(H,15,16,18);2-5,12H,1H3;2H,1H2;2H,1H2,(H2,7,8,9,10)
InChIKeyBFLABDISZILIPB-UHFFFAOYSA-N
XLogP19.79
TPSA359.80 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001672.25
LogP ≤ 519.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile?
The IUPAC name of 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile (CID 157332373) is 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile.
What is the SMILES notation for 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile?
The canonical SMILES for 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile is CCc1cnc(-n2c(C)cc3c(C#N)cccc32)nc1NCc1ccccc1.CCc1cnc(Cl)nc1NCc1ccccc1.Cc1cc2c(C#N)cccc2[nH]1.ClCc1cnc(Cl)nc1Cl.ClCc1cnc(Cl)nc1NCc1ccccc1.O=c1[nH]cc(CCl)c(=O)[nH]1.[N-]=[N+]=NCc1cnc(Cl)nc1NCc1ccccc1.
What is the InChIKey of 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile?
The InChIKey is BFLABDISZILIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5.C13H14ClN3.C12H11Cl2N3.C12H11ClN6.C10H8N2.C5H3Cl3N2.C5H5ClN2O2/c1-3-18-15-26-23(27-22(18)25-14-17-8-5-4-6-9-17)28-16(2)12-20-19(13-24)10-7-11-21(20)28;1-2-11-9-16-13(14)17-12(11)15-8-10-6-4-3-5-7-10;13-6-10-8-16-12(14)17-11(10)15-7-9-4-2-1-3-5-9;13-12-16-7-10(8-17-19-14)11(18-12)15-6-9-4-2-1-3-5-9;1-7-5-9-8(6-11)3-2-4-10(9)12-7;6-1-3-2-9-5(8)10-4(3)7;6-1-3-2-7-5(10)8-4(3)9/h4-12,15H,3,14H2,1-2H3,(H,25,26,27);3-7,9H,2,8H2,1H3,(H,15,16,17);1-5,8H,6-7H2,(H,15,16,17);1-5,7H,6,8H2,(H,15,16,18);2-5,12H,1H3;2H,1H2;2H,1H2,(H2,7,8,9,10).
What are the key properties of 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile?
5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile has a molecular weight of 1672.25 g/mol, XLogP of 19.79, 20 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile is sourced from PubChem (CID 157332373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).