2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C20H29N5O2 — CID 155976790

IUPAC2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCc1nc2c(c(N3CC4CN(C(=O)NC5CCOCC5)CC4C3)n1)CCC2
InChIInChI=1S/C20H29N5O2/c1-13-21-18-4-2-3-17(18)19(22-13)24-9-14-11-25(12-15(14)10-24)20(26)23-16-5-7-27-8-6-16/h14-16H,2-12H2,1H3,(H,23,26)
InChIKeyIPFSTTVBYYWUJE-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 155976790) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID155976790
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCc1nc2c(c(N3CC4CN(C(=O)NC5CCOCC5)CC4C3)n1)CCC2
InChIInChI=1S/C20H29N5O2/c1-13-21-18-4-2-3-17(18)19(22-13)24-9-14-11-25(12-15(14)10-24)20(26)23-16-5-7-27-8-6-16/h14-16H,2-12H2,1H3,(H,23,26)
InChIKeyIPFSTTVBYYWUJE-UHFFFAOYSA-N
XLogP1.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

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Related Compounds

[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone
CID 155976843
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-4-yl)methanone
CID 155976842
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
6-methyl-3-[2-[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]pyrimidin-4-one
CID 155976871
N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide
CID 175648123
N-cyclohexyl-2-methyl-4-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788681
N-cyclohexyl-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788673
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126931918
tert-butyl N-[(3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133472766
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
(2-methyl-4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-[(3R)-oxolan-3-yl]methanone
CID 95874573

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 155976790) is 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is Cc1nc2c(c(N3CC4CN(C(=O)NC5CCOCC5)CC4C3)n1)CCC2.
What is the InChIKey of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is IPFSTTVBYYWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-21-18-4-2-3-17(18)19(22-13)24-9-14-11-25(12-15(14)10-24)20(26)23-16-5-7-27-8-6-16/h14-16H,2-12H2,1H3,(H,23,26).
What are the key properties of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 155976790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).