4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine

C17H22N4 — CID 56877135

IUPAC4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)Cc2ncccc2C)n1
InChIInChI=1S/C17H22N4/c1-12-6-5-9-18-16(12)11-21(3)17-19-13(2)10-15(20-17)14-7-4-8-14/h5-6,9-10,14H,4,7-8,11H2,1-3H3
InChIKeyMLDFKYKCYKXLJW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.39
Rot. Bonds4

About 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine

4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 56877135) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID56877135
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)Cc2ncccc2C)n1
InChIInChI=1S/C17H22N4/c1-12-6-5-9-18-16(12)11-21(3)17-19-13(2)10-15(20-17)14-7-4-8-14/h5-6,9-10,14H,4,7-8,11H2,1-3H3
InChIKeyMLDFKYKCYKXLJW-UHFFFAOYSA-N
XLogP3.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine (CID 56877135) is 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine is Cc1cc(C2CCC2)nc(N(C)Cc2ncccc2C)n1.
What is the InChIKey of 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is MLDFKYKCYKXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-6-5-9-18-16(12)11-21(3)17-19-13(2)10-15(20-17)14-7-4-8-14/h5-6,9-10,14H,4,7-8,11H2,1-3H3.
What are the key properties of 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine?
4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N,6-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56877135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).