1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine

C12H21N3O — CID 107896968

IUPAC1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc(OC)ncn1
InChIInChI=1S/C12H21N3O/c1-5-6-9(2)12(13-3)10-7-11(16-4)15-8-14-10/h7-9,12-13H,5-6H2,1-4H3
InChIKeyMZSASQWAXGYBCT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds6

About 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine

1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine (PubChem CID 107896968) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
PubChem CID107896968
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc(OC)ncn1
InChIInChI=1S/C12H21N3O/c1-5-6-9(2)12(13-3)10-7-11(16-4)15-8-14-10/h7-9,12-13H,5-6H2,1-4H3
InChIKeyMZSASQWAXGYBCT-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(6-methoxypyrimidin-4-yl)-N-methylbutan-1-amine
CID 102951200
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
1-(6-methoxypyrimidin-4-yl)-3-methylhexan-1-amine
CID 102950625
1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
CID 102952073
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951077
2-(6-methoxypyrimidin-4-yl)pentan-3-one
CID 66319706
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 102951147
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 102951072
1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
CID 102950530

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine (CID 107896968) is 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine?
The InChIKey is MZSASQWAXGYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-9(2)12(13-3)10-7-11(16-4)15-8-14-10/h7-9,12-13H,5-6H2,1-4H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine?
1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.18, 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)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 107896968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).