3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine

C12H21N3 — CID 115530358

IUPAC3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
SMILESCCCC(C)CC(N)c1ccnc(C)n1
InChIInChI=1S/C12H21N3/c1-4-5-9(2)8-11(13)12-6-7-14-10(3)15-12/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyJZHSTZNMXGJCET-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.61
Rot. Bonds5

About 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine

3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine (PubChem CID 115530358) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
PubChem CID115530358
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
SMILESCCCC(C)CC(N)c1ccnc(C)n1
InChIInChI=1S/C12H21N3/c1-4-5-9(2)8-11(13)12-6-7-14-10(3)15-12/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyJZHSTZNMXGJCET-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine
CID 102950625
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine?
The IUPAC name of 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine (CID 115530358) is 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine is CCCC(C)CC(N)c1ccnc(C)n1.
What is the InChIKey of 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine?
The InChIKey is JZHSTZNMXGJCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-9(2)8-11(13)12-6-7-14-10(3)15-12/h6-7,9,11H,4-5,8,13H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine?
3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine is sourced from PubChem (CID 115530358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).