2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine

C17H19N7 — CID 125012503

IUPAC2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
SMILESCc1nc(-c2ncc(C)[nH]2)cc([C@H]2CCCN2c2ncccn2)n1
InChIInChI=1S/C17H19N7/c1-11-10-20-16(21-11)14-9-13(22-12(2)23-14)15-5-3-8-24(15)17-18-6-4-7-19-17/h4,6-7,9-10,15H,3,5,8H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyVYCMCYPVHPMJCI-OAHLLOKOSA-N
MW321.39 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine

2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine (PubChem CID 125012503) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
PubChem CID125012503
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
SMILESCc1nc(-c2ncc(C)[nH]2)cc([C@H]2CCCN2c2ncccn2)n1
InChIInChI=1S/C17H19N7/c1-11-10-20-16(21-11)14-9-13(22-12(2)23-14)15-5-3-8-24(15)17-18-6-4-7-19-17/h4,6-7,9-10,15H,3,5,8H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyVYCMCYPVHPMJCI-OAHLLOKOSA-N
XLogP2.62
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110099539
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
3-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256794
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576
5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998429
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine
CID 95847255
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110109889
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
5-methyl-N-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 110262807
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine?
The IUPAC name of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine (CID 125012503) is 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine is Cc1nc(-c2ncc(C)[nH]2)cc([C@H]2CCCN2c2ncccn2)n1.
What is the InChIKey of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine?
The InChIKey is VYCMCYPVHPMJCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N7/c1-11-10-20-16(21-11)14-9-13(22-12(2)23-14)15-5-3-8-24(15)17-18-6-4-7-19-17/h4,6-7,9-10,15H,3,5,8H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine?
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine has a molecular weight of 321.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 125012503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).