N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C19H29N5O — CID 126931972

IUPACN-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC(C)c1cc(N2CC3CN(C(=O)NC4CCCC4)CC3C2)ncn1
InChIInChI=1S/C19H29N5O/c1-13(2)17-7-18(21-12-20-17)23-8-14-10-24(11-15(14)9-23)19(25)22-16-5-3-4-6-16/h7,12-16H,3-6,8-11H2,1-2H3,(H,22,25)
InChIKeyKHVQPOOLLFYWRK-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.62
Rot. Bonds3

About N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 126931972) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID126931972
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC(C)c1cc(N2CC3CN(C(=O)NC4CCCC4)CC3C2)ncn1
InChIInChI=1S/C19H29N5O/c1-13(2)17-7-18(21-12-20-17)23-8-14-10-24(11-15(14)9-23)19(25)22-16-5-3-4-6-16/h7,12-16H,3-6,8-11H2,1-2H3,(H,22,25)
InChIKeyKHVQPOOLLFYWRK-UHFFFAOYSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126932309
1-methyl-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126931947
(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95476929
3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
CID 126931975
[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
CID 126931957
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
2-[2-(azepan-1-yl)ethyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932087
4-methoxy-1-methyl-5-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126932008
1-(cyclopropylmethyl)-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-one
CID 126932276
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346814
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
CID 126932211

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 126931972) is N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CC(C)c1cc(N2CC3CN(C(=O)NC4CCCC4)CC3C2)ncn1.
What is the InChIKey of N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is KHVQPOOLLFYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13(2)17-7-18(21-12-20-17)23-8-14-10-24(11-15(14)9-23)19(25)22-16-5-3-4-6-16/h7,12-16H,3-6,8-11H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 126931972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).