(2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C15H23N5O — CID 97377328

IUPAC(2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2N1C(C)C
InChIInChI=1S/C15H23N5O/c1-10(2)20-12(14(21)16-3)7-11-8-19(9-13(11)20)15-17-5-4-6-18-15/h4-6,10-13H,7-9H2,1-3H3,(H,16,21)/t11-,12-,13+/m0/s1
InChIKeySESKGPGBTQKJLE-RWMBFGLXSA-N
MW289.38 g/mol
LogP0.51
Rot. Bonds3

About (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97377328) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97377328
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2N1C(C)C
InChIInChI=1S/C15H23N5O/c1-10(2)20-12(14(21)16-3)7-11-8-19(9-13(11)20)15-17-5-4-6-18-15/h4-6,10-13H,7-9H2,1-3H3,(H,16,21)/t11-,12-,13+/m0/s1
InChIKeySESKGPGBTQKJLE-RWMBFGLXSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

cis-((3R,4R)-3,4-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565582
cis-((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 44565889
cis-((R)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565890
cis-((S)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565891
cis-((3S,4R)-3,4-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565892
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-pyrimidin-2-ylpyrrolidine-1,2-dicarboxamide
CID 59908754
N-[2-(pyrimidin-2-ylamino)ethyl]cyclopentanecarboxamide
CID 40150165
(2S)-2-amino-5-(diaminomethylideneamino)-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 46879796
1-(3-{rel-(3S,4R)-3-isopropyl-4-[(2-methyl-4-pyrimidinyl)amino]-1-pyrrolidinyl}-3-oxopropyl)-2-pyrrolidinone hydrochloride
CID 72910944
1-(2-{rel-(3S,4R)-3-isopropyl-4-[(2-methyl-4-pyrimidinyl)amino]-1-pyrrolidinyl}-2-oxoethyl)-2-pyrrolidinone hydrochloride
CID 72921591
2-[(3aS,6aR)-4-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-N,N-dimethylacetamide
CID 97386534
(2R,3aS,6aS)-N-[2-(dimethylamino)ethyl]-1-methyl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97386948

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97377328) is (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2N1C(C)C.
What is the InChIKey of (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is SESKGPGBTQKJLE-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)20-12(14(21)16-3)7-11-8-19(9-13(11)20)15-17-5-4-6-18-15/h4-6,10-13H,7-9H2,1-3H3,(H,16,21)/t11-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-N-methyl-1-propan-2-yl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).