[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C18H17ClN6O — CID 95815143

IUPAC[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESNc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C18H17ClN6O/c19-12-5-3-11(4-6-12)13-10-21-18(20)23-16(13)15-2-1-9-25(15)17(26)14-7-8-22-24-14/h3-8,10,15H,1-2,9H2,(H,22,24)(H2,20,21,23)/t15-/m1/s1
InChIKeyXGLDVJLGGCDASU-OAHLLOKOSA-N
MW368.83 g/mol
LogP3.08
Rot. Bonds3

About [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95815143) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95815143
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESNc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C18H17ClN6O/c19-12-5-3-11(4-6-12)13-10-21-18(20)23-16(13)15-2-1-9-25(15)17(26)14-7-8-22-24-14/h3-8,10,15H,1-2,9H2,(H,22,24)(H2,20,21,23)/t15-/m1/s1
InChIKeyXGLDVJLGGCDASU-OAHLLOKOSA-N
XLogP3.08
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95815151
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 129456664
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124952108
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
1-[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837207
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-4-(azepan-1-yl)butan-1-one
CID 124941489
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
1-[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
CID 125017825
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95815176

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 95815143) is [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccn[nH]2)n1.
What is the InChIKey of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is XGLDVJLGGCDASU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-12-5-3-11(4-6-12)13-10-21-18(20)23-16(13)15-2-1-9-25(15)17(26)14-7-8-22-24-14/h3-8,10,15H,1-2,9H2,(H,22,24)(H2,20,21,23)/t15-/m1/s1.
What are the key properties of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 368.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95815143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).