4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide

C24H29N7O2 — CID 70832993

IUPAC4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide
SMILESCCCN(C)CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)c1
InChIInChI=1S/C24H29N7O2/c1-3-12-31(2)16-21(32)28-18-10-7-11-19(13-18)29-24-27-15-20(22(25)33)23(30-24)26-14-17-8-5-4-6-9-17/h4-11,13,15H,3,12,14,16H2,1-2H3,(H2,25,33)(H,28,32)(H2,26,27,29,30)
InChIKeyDNQYQCUFBTUSJN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.21
Rot. Bonds11

About 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide

4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide (PubChem CID 70832993) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide
PubChem CID70832993
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide
SMILESCCCN(C)CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)c1
InChIInChI=1S/C24H29N7O2/c1-3-12-31(2)16-21(32)28-18-10-7-11-19(13-18)29-24-27-15-20(22(25)33)23(30-24)26-14-17-8-5-4-6-9-17/h4-11,13,15H,3,12,14,16H2,1-2H3,(H2,25,33)(H,28,32)(H2,26,27,29,30)
InChIKeyDNQYQCUFBTUSJN-UHFFFAOYSA-N
XLogP3.21
TPSA125.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627
4-(benzylamino)-2-[3-(2,5-dihydropyrrole-1-carbonylamino)anilino]pyrimidine-5-carboxamide
CID 66841654
4-[(4-fluorophenyl)methylamino]-2-[3-[(2-methoxyacetyl)amino]anilino]pyrimidine-5-carboxamide
CID 58098804
4-(benzylamino)-2-[3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]anilino]pyrimidine-5-carboxamide
CID 58098906
4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
CID 44561384
2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 91053236
2-(3-acetamidoanilino)-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 66841229
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
2-[3-[[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]amino]anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 68757613
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
2-[3-(methylamino)anilino]-4-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 70832990
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide (CID 70832993) is 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide is CCCN(C)CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)c1.
What is the InChIKey of 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide?
The InChIKey is DNQYQCUFBTUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-3-12-31(2)16-21(32)28-18-10-7-11-19(13-18)29-24-27-15-20(22(25)33)23(30-24)26-14-17-8-5-4-6-9-17/h4-11,13,15H,3,12,14,16H2,1-2H3,(H2,25,33)(H,28,32)(H2,26,27,29,30).
What are the key properties of 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide?
4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.21, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 70832993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).