(3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide

C14H19N5O — CID 97459397

IUPAC(3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
SMILESO=C(NC1CC1)N1CC[C@H]2[C@H]1CCN2c1ncccn1
InChIInChI=1S/C14H19N5O/c20-14(17-10-2-3-10)19-9-5-11-12(19)4-8-18(11)13-15-6-1-7-16-13/h1,6-7,10-12H,2-5,8-9H2,(H,17,20)/t11-,12+/m0/s1
InChIKeyVYEFEUYBCHQOFR-NWDGAFQWSA-N
MW273.34 g/mol
LogP1.00
Rot. Bonds2

About (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide

(3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide (PubChem CID 97459397) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
PubChem CID97459397
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
SMILESO=C(NC1CC1)N1CC[C@H]2[C@H]1CCN2c1ncccn1
InChIInChI=1S/C14H19N5O/c20-14(17-10-2-3-10)19-9-5-11-12(19)4-8-18(11)13-15-6-1-7-16-13/h1,6-7,10-12H,2-5,8-9H2,(H,17,20)/t11-,12+/m0/s1
InChIKeyVYEFEUYBCHQOFR-NWDGAFQWSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-{2-[2-(Pyrimidin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11747757
N-cyclohexyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2235451
1-Cyclohexyl-3-pyrimidin-2-yl-urea
CID 3526095
4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropylpyrimidin-2-amine
CID 58227302
N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084904
4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 53499344
N-[1-(pyrrolidin-1-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72868106
(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
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
(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97408097
(3aR,6aS)-N-propan-2-yl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 97459396

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The IUPAC name of (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide (CID 97459397) is (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The canonical SMILES for (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide is O=C(NC1CC1)N1CC[C@H]2[C@H]1CCN2c1ncccn1.
What is the InChIKey of (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The InChIKey is VYEFEUYBCHQOFR-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N5O/c20-14(17-10-2-3-10)19-9-5-11-12(19)4-8-18(11)13-15-6-1-7-16-13/h1,6-7,10-12H,2-5,8-9H2,(H,17,20)/t11-,12+/m0/s1.
What are the key properties of (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
(3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-cyclopropyl-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide is sourced from PubChem (CID 97459397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).