[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C16H18N6O — CID 53192969

IUPAC[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C16H18N6O/c23-16(14-8-17-5-6-18-14)22-7-4-11(9-22)21-15-12-2-1-3-13(12)19-10-20-15/h5-6,8,10-11H,1-4,7,9H2,(H,19,20,21)
InChIKeyWZCQBINHCFXHBH-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.08
Rot. Bonds3

About [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53192969) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53192969
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C16H18N6O/c23-16(14-8-17-5-6-18-14)22-7-4-11(9-22)21-15-12-2-1-3-13(12)19-10-20-15/h5-6,8,10-11H,1-4,7,9H2,(H,19,20,21)
InChIKeyWZCQBINHCFXHBH-UHFFFAOYSA-N
XLogP1.08
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
CID 71696044
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 145988392
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-isobutyl-1H-1,2,3-triazole-4-carboxamide
CID 56722083
N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56723590
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 72134602
2-methyl-4-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 72134603
4-ethyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 72149706
[4-[Ethyl(methyl)amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-pyrazin-2-ylmethanone
CID 97381464
[4-[1-(Cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone
CID 97447681
[4-(1-Propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone
CID 97526939
N-[1-(Pyridin-3-YL)ethyl]-5H,6H,7H,8H-imidazo[1,2-A]pyridine-2-carboxamide
CID 53167913
N~2~-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-2-pyrazinecarboxamide
CID 53192926

Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 53192969) is [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(Nc2ncnc3c2CCC3)C1.
What is the InChIKey of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is WZCQBINHCFXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(14-8-17-5-6-18-14)22-7-4-11(9-22)21-15-12-2-1-3-13(12)19-10-20-15/h5-6,8,10-11H,1-4,7,9H2,(H,19,20,21).
What are the key properties of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53192969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).