5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine

C13H16N4O — CID 171075062

IUPAC5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine
SMILESCn1c(-c2cncnc2)cnc1C1CCOCC1
InChIInChI=1S/C13H16N4O/c1-17-12(11-6-14-9-15-7-11)8-16-13(17)10-2-4-18-5-3-10/h6-10H,2-5H2,1H3
InChIKeyISADWUZVDPRXKO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.77
Rot. Bonds2

About 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine

5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine (PubChem CID 171075062) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine
PubChem CID171075062
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine
SMILESCn1c(-c2cncnc2)cnc1C1CCOCC1
InChIInChI=1S/C13H16N4O/c1-17-12(11-6-14-9-15-7-11)8-16-13(17)10-2-4-18-5-3-10/h6-10H,2-5H2,1H3
InChIKeyISADWUZVDPRXKO-UHFFFAOYSA-N
XLogP1.77
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
CID 91911584
4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidine
CID 176967131
6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine
CID 172745522
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine
CID 141442764
[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol
CID 172550795
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine
CID 89442792
2-(2-cyclopropyl-3-methylimidazol-4-yl)ethynyl-trimethylsilane
CID 25112333
5-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117140411
1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone
CID 45086294
3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 83642316

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine?
The IUPAC name of 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine (CID 171075062) is 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine?
The canonical SMILES for 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine is Cn1c(-c2cncnc2)cnc1C1CCOCC1.
What is the InChIKey of 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine?
The InChIKey is ISADWUZVDPRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-12(11-6-14-9-15-7-11)8-16-13(17)10-2-4-18-5-3-10/h6-10H,2-5H2,1H3.
What are the key properties of 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine?
5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine is sourced from PubChem (CID 171075062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).