2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine

C15H18N6O — CID 56863217

IUPAC2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine
SMILESCOc1ncc(-c2nccn2C(C)CCn2cccn2)cn1
InChIInChI=1S/C15H18N6O/c1-12(4-8-20-7-3-5-19-20)21-9-6-16-14(21)13-10-17-15(22-2)18-11-13/h3,5-7,9-12H,4,8H2,1-2H3
InChIKeyYCXFJNLKRYXFEW-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.20
Rot. Bonds6

About 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine

2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine (PubChem CID 56863217) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine
PubChem CID56863217
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine
SMILESCOc1ncc(-c2nccn2C(C)CCn2cccn2)cn1
InChIInChI=1S/C15H18N6O/c1-12(4-8-20-7-3-5-19-20)21-9-6-16-14(21)13-10-17-15(22-2)18-11-13/h3,5-7,9-12H,4,8H2,1-2H3
InChIKeyYCXFJNLKRYXFEW-UHFFFAOYSA-N
XLogP2.20
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Methylimidazol-1-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 53568223
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 53522536
1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
4-[(1-Ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53557687
4-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559205
1-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 53561114
4-[(1-Methylimidazol-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565596
2-[(4-Methylpyrazol-1-yl)methyl]-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53565844
1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
1-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 53627291
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
2-[(4-Methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 56780377

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine?
The IUPAC name of 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine (CID 56863217) is 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine is COc1ncc(-c2nccn2C(C)CCn2cccn2)cn1.
What is the InChIKey of 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine?
The InChIKey is YCXFJNLKRYXFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-12(4-8-20-7-3-5-19-20)21-9-6-16-14(21)13-10-17-15(22-2)18-11-13/h3,5-7,9-12H,4,8H2,1-2H3.
What are the key properties of 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine?
2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine has a molecular weight of 298.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine is sourced from PubChem (CID 56863217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).