1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine

C14H25N3 — CID 63202183

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)cc(C)n1)C(C)C
InChIInChI=1S/C14H25N3/c1-6-7-15-13(10(2)3)9-14-16-11(4)8-12(5)17-14/h8,10,13,15H,6-7,9H2,1-5H3
InChIKeyNTYZIQNOPRTYQH-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.66
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine (PubChem CID 63202183) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
PubChem CID63202183
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)cc(C)n1)C(C)C
InChIInChI=1S/C14H25N3/c1-6-7-15-13(10(2)3)9-14-16-11(4)8-12(5)17-14/h8,10,13,15H,6-7,9H2,1-5H3
InChIKeyNTYZIQNOPRTYQH-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
CID 55162008
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 81137677
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
CID 63201319
1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
CID 63202230
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
CID 130198316
3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
CID 55162966

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine (CID 63202183) is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1nc(C)cc(C)n1)C(C)C.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is NTYZIQNOPRTYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-7-15-13(10(2)3)9-14-16-11(4)8-12(5)17-14/h8,10,13,15H,6-7,9H2,1-5H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine?
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 63202183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).