2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine

C16H23N5 — CID 125012000

IUPAC2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
SMILESCc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN2C)n1
InChIInChI=1S/C16H23N5/c1-11(2)21-16(7-8-17-21)14-10-13(18-12(3)19-14)15-6-5-9-20(15)4/h7-8,10-11,15H,5-6,9H2,1-4H3/t15-/m0/s1
InChIKeyVULCYOLBBIOKFH-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine

2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine (PubChem CID 125012000) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
PubChem CID125012000
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
SMILESCc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN2C)n1
InChIInChI=1S/C16H23N5/c1-11(2)21-16(7-8-17-21)14-10-13(18-12(3)19-14)15-6-5-9-20(15)4/h7-8,10-11,15H,5-6,9H2,1-4H3/t15-/m0/s1
InChIKeyVULCYOLBBIOKFH-HNNXBMFYSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(2R)-1-methylpiperidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124994880
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
CID 124989938
1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
2,2-dimethyl-1-[(3R)-3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124947365
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
5-methyl-2-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100448
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
CID 110101165
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine (CID 125012000) is 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine is Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN2C)n1.
What is the InChIKey of 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine?
The InChIKey is VULCYOLBBIOKFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)21-16(7-8-17-21)14-10-13(18-12(3)19-14)15-6-5-9-20(15)4/h7-8,10-11,15H,5-6,9H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine?
2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 125012000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).