3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine

C15H27N3 — CID 114200836

IUPAC3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)c1ncccn1
InChIInChI=1S/C15H27N3/c1-5-7-16-14(11-13(4)10-12(2)3)15-17-8-6-9-18-15/h6,8-9,12-14,16H,5,7,10-11H2,1-4H3
InChIKeyOYFZGHICKWEEOA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.59
Rot. Bonds8

About 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine

3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine (PubChem CID 114200836) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
PubChem CID114200836
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)c1ncccn1
InChIInChI=1S/C15H27N3/c1-5-7-16-14(11-13(4)10-12(2)3)15-17-8-6-9-18-15/h6,8-9,12-14,16H,5,7,10-11H2,1-4H3
InChIKeyOYFZGHICKWEEOA-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 114200975
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
CID 114201829
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955
N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine
CID 89012774

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine (CID 114200836) is 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine is CCCNC(CC(C)CC(C)C)c1ncccn1.
What is the InChIKey of 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine?
The InChIKey is OYFZGHICKWEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-7-16-14(11-13(4)10-12(2)3)15-17-8-6-9-18-15/h6,8-9,12-14,16H,5,7,10-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine?
3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine is sourced from PubChem (CID 114200836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).