5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile

C20H23N7O — CID 98268543

IUPAC5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cnc(NC[C@H]3CCCO3)nc1)N1CCC2CC1
InChIInChI=1S/C20H23N7O/c21-8-15-16(18-17(26-19(15)22)12-3-5-27(18)6-4-12)13-9-23-20(24-10-13)25-11-14-2-1-7-28-14/h9-10,12,14H,1-7,11H2,(H2,22,26)(H,23,24,25)/t14-/m1/s1
InChIKeyOMNLLIOVBLKRKO-CQSZACIVSA-N
MW377.45 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile

5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile (PubChem CID 98268543) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
PubChem CID98268543
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cnc(NC[C@H]3CCCO3)nc1)N1CCC2CC1
InChIInChI=1S/C20H23N7O/c21-8-15-16(18-17(26-19(15)22)12-3-5-27(18)6-4-12)13-9-23-20(24-10-13)25-11-14-2-1-7-28-14/h9-10,12,14H,1-7,11H2,(H2,22,26)(H,23,24,25)/t14-/m1/s1
InChIKeyOMNLLIOVBLKRKO-CQSZACIVSA-N
XLogP2.28
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile with MolForge

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Related Compounds

2-amino-6-(2,5-dimethylfuran-3-yl)-4-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]pyridine-3-carbonitrile;formic acid
CID 171338719
5-amino-3-[4-methoxy-3-(methoxymethyl)phenyl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56746322
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile
CID 95553294
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 154565762
2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
CID 56755962
2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56756694
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 118389307
5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 169416582

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The IUPAC name of 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile (CID 98268543) is 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The canonical SMILES for 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile is N#Cc1c(N)nc2c(c1-c1cnc(NC[C@H]3CCCO3)nc1)N1CCC2CC1.
What is the InChIKey of 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The InChIKey is OMNLLIOVBLKRKO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N7O/c21-8-15-16(18-17(26-19(15)22)12-3-5-27(18)6-4-12)13-9-23-20(24-10-13)25-11-14-2-1-7-28-14/h9-10,12,14H,1-7,11H2,(H2,22,26)(H,23,24,25)/t14-/m1/s1.
What are the key properties of 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile is sourced from PubChem (CID 98268543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).