2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine

C18H27N5 — CID 124989938

IUPAC2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCN(C(C)C)C2)n1
InChIInChI=1S/C18H27N5/c1-12(2)22-9-7-15(11-22)16-10-17(21-14(5)20-16)18-6-8-19-23(18)13(3)4/h6,8,10,12-13,15H,7,9,11H2,1-5H3/t15-/m1/s1
InChIKeyOYBFBGRBZKLFCK-OAHLLOKOSA-N
MW313.45 g/mol
LogP3.43
Rot. Bonds4

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

2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine (PubChem CID 124989938) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
PubChem CID124989938
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCN(C(C)C)C2)n1
InChIInChI=1S/C18H27N5/c1-12(2)22-9-7-15(11-22)16-10-17(21-14(5)20-16)18-6-8-19-23(18)13(3)4/h6,8,10,12-13,15H,7,9,11H2,1-5H3/t15-/m1/s1
InChIKeyOYBFBGRBZKLFCK-OAHLLOKOSA-N
XLogP3.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
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-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 125012000
2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 125005686
2-methyl-4-[(2R)-1-methylpiperidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124994880
2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269647
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
CID 110101165
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
4-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 118740399
4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 124959081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine?
The IUPAC name of 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine (CID 124989938) is 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine is Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine?
The InChIKey is OYBFBGRBZKLFCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5/c1-12(2)22-9-7-15(11-22)16-10-17(21-14(5)20-16)18-6-8-19-23(18)13(3)4/h6,8,10,12-13,15H,7,9,11H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine?
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine has a molecular weight of 313.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 124989938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).