1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine

C12H21N3O — CID 102950625

IUPAC1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cc(OC)ncn1
InChIInChI=1S/C12H21N3O/c1-4-5-9(2)6-10(13)11-7-12(16-3)15-8-14-11/h7-10H,4-6,13H2,1-3H3
InChIKeyWQOMIMSGUVEKDB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.31
Rot. Bonds6

About 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine

1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine (PubChem CID 102950625) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine
PubChem CID102950625
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cc(OC)ncn1
InChIInChI=1S/C12H21N3O/c1-4-5-9(2)6-10(13)11-7-12(16-3)15-8-14-11/h7-10H,4-6,13H2,1-3H3
InChIKeyWQOMIMSGUVEKDB-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
CID 102952073
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
CID 107896968
1-(6-methoxypyrimidin-4-yl)-3-methylidenepentan-1-amine
CID 102950603
2-(6-methoxypyrimidin-4-yl)pentan-3-one
CID 66319706
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
CID 115530358
2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950704
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
2-(3,3-difluorocyclopentyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 114224957
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine (CID 102950625) is 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine?
The InChIKey is WQOMIMSGUVEKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-9(2)6-10(13)11-7-12(16-3)15-8-14-11/h7-10H,4-6,13H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine?
1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine is sourced from PubChem (CID 102950625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).