4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine

C15H21N5 — CID 56863129

IUPAC4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C15H21N5/c1-11-9-13(12-5-4-6-12)18-15(17-11)20(3)10-14-16-7-8-19(14)2/h7-9,12H,4-6,10H2,1-3H3
InChIKeyVXIBAQBZUGTUHY-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.42
Rot. Bonds4

About 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine

4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 56863129) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID56863129
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C15H21N5/c1-11-9-13(12-5-4-6-12)18-15(17-11)20(3)10-14-16-7-8-19(14)2/h7-9,12H,4-6,10H2,1-3H3
InChIKeyVXIBAQBZUGTUHY-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine (CID 56863129) is 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine is Cc1cc(C2CCC2)nc(N(C)Cc2nccn2C)n1.
What is the InChIKey of 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is VXIBAQBZUGTUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-9-13(12-5-4-6-12)18-15(17-11)20(3)10-14-16-7-8-19(14)2/h7-9,12H,4-6,10H2,1-3H3.
What are the key properties of 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56863129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).