4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine

C18H24N4 — CID 95559697

IUPAC4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine
SMILESCC[C@@H](Nc1nc(C)cc(C2CCC2)n1)c1cccc(C)n1
InChIInChI=1S/C18H24N4/c1-4-15(16-10-5-7-12(2)19-16)21-18-20-13(3)11-17(22-18)14-8-6-9-14/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyMSCBXVZUUYLTFG-OAHLLOKOSA-N
MW296.42 g/mol
LogP4.32
Rot. Bonds5

About 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine

4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine (PubChem CID 95559697) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine
PubChem CID95559697
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine
SMILESCC[C@@H](Nc1nc(C)cc(C2CCC2)n1)c1cccc(C)n1
InChIInChI=1S/C18H24N4/c1-4-15(16-10-5-7-12(2)19-16)21-18-20-13(3)11-17(22-18)14-8-6-9-14/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyMSCBXVZUUYLTFG-OAHLLOKOSA-N
XLogP4.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine (CID 95559697) is 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine is CC[C@@H](Nc1nc(C)cc(C2CCC2)n1)c1cccc(C)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine?
The InChIKey is MSCBXVZUUYLTFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4/c1-4-15(16-10-5-7-12(2)19-16)21-18-20-13(3)11-17(22-18)14-8-6-9-14/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine?
4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 95559697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).