2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine

C16H21N3O — CID 106793012

IUPAC2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(C)cc2OC)n1
InChIInChI=1S/C16H21N3O/c1-5-8-17-15-10-12(3)18-16(19-15)13-7-6-11(2)9-14(13)20-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18,19)
InChIKeyOSLGQFBHMWIPQP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine

2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 106793012) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID106793012
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(C)cc2OC)n1
InChIInChI=1S/C16H21N3O/c1-5-8-17-15-10-12(3)18-16(19-15)13-7-6-11(2)9-14(13)20-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18,19)
InChIKeyOSLGQFBHMWIPQP-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-4-methylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 106793108
2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
2-(6-methoxypyridazin-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103374966
[2-(2,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250716
2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 102952685
2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190181
N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 106793012) is 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2ccc(C)cc2OC)n1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OSLGQFBHMWIPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-8-17-15-10-12(3)18-16(19-15)13-7-6-11(2)9-14(13)20-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).