[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C13H16N6O — CID 95824426

IUPAC[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC[C@H]2c2ccnc(N)n2)n1
InChIInChI=1S/C13H16N6O/c1-18-8-5-10(17-18)12(20)19-7-2-3-11(19)9-4-6-15-13(14)16-9/h4-6,8,11H,2-3,7H2,1H3,(H2,14,15,16)/t11-/m0/s1
InChIKeyWKCSPDPNGFXLJE-NSHDSACASA-N
MW272.31 g/mol
LogP0.77
Rot. Bonds2

About [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 95824426) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID95824426
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC[C@H]2c2ccnc(N)n2)n1
InChIInChI=1S/C13H16N6O/c1-18-8-5-10(17-18)12(20)19-7-2-3-11(19)9-4-6-15-13(14)16-9/h4-6,8,11H,2-3,7H2,1H3,(H2,14,15,16)/t11-/m0/s1
InChIKeyWKCSPDPNGFXLJE-NSHDSACASA-N
XLogP0.77
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-3-yl)-[(2S)-2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124956644
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 95848436
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 95843219
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129280
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125018437
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
(1-methylpyrazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044057

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 95824426) is [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC[C@H]2c2ccnc(N)n2)n1.
What is the InChIKey of [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is WKCSPDPNGFXLJE-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6O/c1-18-8-5-10(17-18)12(20)19-7-2-3-11(19)9-4-6-15-13(14)16-9/h4-6,8,11H,2-3,7H2,1H3,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95824426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).