1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one

C16H21N5O — CID 124949020

IUPAC1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(-c2ncc[nH]2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C16H21N5O/c1-10(2)16(22)21-7-4-12(9-21)13-8-14(20-11(3)19-13)15-17-5-6-18-15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyCQXXLFBYESKJMX-GFCCVEGCSA-N
MW299.38 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one

1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 124949020) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID124949020
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(-c2ncc[nH]2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C16H21N5O/c1-10(2)16(22)21-7-4-12(9-21)13-8-14(20-11(3)19-13)15-17-5-6-18-15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyCQXXLFBYESKJMX-GFCCVEGCSA-N
XLogP2.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110096032
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 124964204
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110109861
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one (CID 124949020) is 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one is Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1.
What is the InChIKey of 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is CQXXLFBYESKJMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10(2)16(22)21-7-4-12(9-21)13-8-14(20-11(3)19-13)15-17-5-6-18-15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 299.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 124949020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).