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

C13H16N4O — CID 141174270

IUPAC4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine
SMILESCc1ncc(-c2ccncn2)n1C1CCOCC1
InChIInChI=1S/C13H16N4O/c1-10-15-8-13(12-2-5-14-9-16-12)17(10)11-3-6-18-7-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3
InChIKeyAIDXBISCZQHOLE-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.00
Rot. Bonds2

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

4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine (PubChem CID 141174270) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine
PubChem CID141174270
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine
SMILESCc1ncc(-c2ccncn2)n1C1CCOCC1
InChIInChI=1S/C13H16N4O/c1-10-15-8-13(12-2-5-14-9-16-12)17(10)11-3-6-18-7-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3
InChIKeyAIDXBISCZQHOLE-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine?
The IUPAC name of 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine (CID 141174270) is 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine?
The canonical SMILES for 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine is Cc1ncc(-c2ccncn2)n1C1CCOCC1.
What is the InChIKey of 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine?
The InChIKey is AIDXBISCZQHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-15-8-13(12-2-5-14-9-16-12)17(10)11-3-6-18-7-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3.
What are the key properties of 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine?
4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine is sourced from PubChem (CID 141174270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).