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

C15H27N3 — CID 55162966

IUPAC3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1cc(C)nc(C)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-7-8-16-12(5)15(10(2)3)14-9-11(4)17-13(6)18-14/h9-10,12,15-16H,7-8H2,1-6H3
InChIKeyLPHNLSGHZKKZBS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.22
Rot. Bonds6

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

3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine (PubChem CID 55162966) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
PubChem CID55162966
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1cc(C)nc(C)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-7-8-16-12(5)15(10(2)3)14-9-11(4)17-13(6)18-14/h9-10,12,15-16H,7-8H2,1-6H3
InChIKeyLPHNLSGHZKKZBS-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine
CID 63197188
3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
CID 63199903
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
CID 63202183
2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one
CID 63549994
4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-propylpentan-2-amine
CID 63197670
3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol
CID 63205554
N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 63853700
1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol
CID 58291738
3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
CID 55162008
N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
CID 116809085
4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 63197289
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine (CID 55162966) is 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)C(c1cc(C)nc(C)n1)C(C)C.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is LPHNLSGHZKKZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-8-16-12(5)15(10(2)3)14-9-11(4)17-13(6)18-14/h9-10,12,15-16H,7-8H2,1-6H3.
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine?
3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 55162966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).