4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine

C19H17N5 — CID 10245173

IUPAC4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
SMILESCc1cc(C#Cc2cn(-c3nccc(C4CC4)n3)c(C)n2)ccn1
InChIInChI=1S/C19H17N5/c1-13-11-15(7-9-20-13)3-6-17-12-24(14(2)22-17)19-21-10-8-18(23-19)16-4-5-16/h7-12,16H,4-5H2,1-2H3
InChIKeyDOZGXUZIOUIEMK-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.95
Rot. Bonds2

About 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine

4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine (PubChem CID 10245173) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
PubChem CID10245173
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
SMILESCc1cc(C#Cc2cn(-c3nccc(C4CC4)n3)c(C)n2)ccn1
InChIInChI=1S/C19H17N5/c1-13-11-15(7-9-20-13)3-6-17-12-24(14(2)22-17)19-21-10-8-18(23-19)16-4-5-16/h7-12,16H,4-5H2,1-2H3
InChIKeyDOZGXUZIOUIEMK-UHFFFAOYSA-N
XLogP2.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10244859
4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-2-methylpyridine
CID 11148529
4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10017970
2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
CID 10450985
4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 11196277
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]pyrazine
CID 11770899
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
CID 24963367
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86649882
2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
2-chloro-4-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridine
CID 86649881
4-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-(trifluoromethyl)pyrimidine
CID 11740009
6-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-3-methylpyrimidin-4-one
CID 58111179

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine (CID 10245173) is 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine is Cc1cc(C#Cc2cn(-c3nccc(C4CC4)n3)c(C)n2)ccn1.
What is the InChIKey of 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine?
The InChIKey is DOZGXUZIOUIEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-11-15(7-9-20-13)3-6-17-12-24(14(2)22-17)19-21-10-8-18(23-19)16-4-5-16/h7-12,16H,4-5H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine?
4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine has a molecular weight of 315.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine is sourced from PubChem (CID 10245173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).