[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C14H15N5O — CID 95845020

IUPAC[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1nccc([C@H]2CCCN2C(=O)c2cccnc2)n1
InChIInChI=1S/C14H15N5O/c15-14-17-7-5-11(18-14)12-4-2-8-19(12)13(20)10-3-1-6-16-9-10/h1,3,5-7,9,12H,2,4,8H2,(H2,15,17,18)/t12-/m1/s1
InChIKeyQCJDNRORHNYBDG-GFCCVEGCSA-N
MW269.31 g/mol
LogP1.43
Rot. Bonds2

About [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95845020) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95845020
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1nccc([C@H]2CCCN2C(=O)c2cccnc2)n1
InChIInChI=1S/C14H15N5O/c15-14-17-7-5-11(18-14)12-4-2-8-19(12)13(20)10-3-1-6-16-9-10/h1,3,5-7,9,12H,2,4,8H2,(H2,15,17,18)/t12-/m1/s1
InChIKeyQCJDNRORHNYBDG-GFCCVEGCSA-N
XLogP1.43
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824426
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
[2-(1-methylpyrazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225788
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 95845020) is [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is Nc1nccc([C@H]2CCCN2C(=O)c2cccnc2)n1.
What is the InChIKey of [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is QCJDNRORHNYBDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N5O/c15-14-17-7-5-11(18-14)12-4-2-8-19(12)13(20)10-3-1-6-16-9-10/h1,3,5-7,9,12H,2,4,8H2,(H2,15,17,18)/t12-/m1/s1.
What are the key properties of [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 269.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95845020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).