N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine

C15H25N3O — CID 116896609

IUPACN-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CNC)c1nc(C)cc(C2CCOCC2)n1
InChIInChI=1S/C15H25N3O/c1-4-12(10-16-3)15-17-11(2)9-14(18-15)13-5-7-19-8-6-13/h9,12-13,16H,4-8,10H2,1-3H3
InChIKeyPIZRYLPTLKDSFK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.39
Rot. Bonds5

About N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine

N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116896609) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
PubChem CID116896609
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CNC)c1nc(C)cc(C2CCOCC2)n1
InChIInChI=1S/C15H25N3O/c1-4-12(10-16-3)15-17-11(2)9-14(18-15)13-5-7-19-8-6-13/h9,12-13,16H,4-8,10H2,1-3H3
InChIKeyPIZRYLPTLKDSFK-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine (CID 116896609) is N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine is CCC(CNC)c1nc(C)cc(C2CCOCC2)n1.
What is the InChIKey of N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is PIZRYLPTLKDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(10-16-3)15-17-11(2)9-14(18-15)13-5-7-19-8-6-13/h9,12-13,16H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine?
N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116896609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).