1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine

C14H17N3O — CID 102951074

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cc(OC)ncn1
InChIInChI=1S/C14H17N3O/c1-10-5-4-6-11(7-10)14(15-2)12-8-13(18-3)17-9-16-12/h4-9,14-15H,1-3H3
InChIKeyMLJBMGFUFKBVGU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine

1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 102951074) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID102951074
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1cc(OC)ncn1
InChIInChI=1S/C14H17N3O/c1-10-5-4-6-11(7-10)14(15-2)12-8-13(18-3)17-9-16-12/h4-9,14-15H,1-3H3
InChIKeyMLJBMGFUFKBVGU-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951139
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090742
(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950866
5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
CID 102951299
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-methyl-1-(3-methylphenyl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482466
1-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63840394
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 102951072
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine (CID 102951074) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is MLJBMGFUFKBVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-4-6-11(7-10)14(15-2)12-8-13(18-3)17-9-16-12/h4-9,14-15H,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.10, 4 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-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 102951074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).