4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine

C16H21N3O — CID 115974514

IUPAC4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2cccc(C)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-8-20-15-10-13(3)18-16(19-15)17-11-14-7-5-6-12(2)9-14/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,18,19)
InChIKeyNMGHKSHTWFHCKK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.49
Rot. Bonds6

About 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine

4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine (PubChem CID 115974514) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
PubChem CID115974514
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2cccc(C)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-8-20-15-10-13(3)18-16(19-15)17-11-14-7-5-6-12(2)9-14/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,18,19)
InChIKeyNMGHKSHTWFHCKK-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106374140
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine (CID 115974514) is 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCc2cccc(C)c2)n1.
What is the InChIKey of 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine?
The InChIKey is NMGHKSHTWFHCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-8-20-15-10-13(3)18-16(19-15)17-11-14-7-5-6-12(2)9-14/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine?
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115974514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).