4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine

C15H20N4O — CID 107541718

IUPAC4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nc(C)cc(CN)n2)cc1
InChIInChI=1S/C15H20N4O/c1-11-8-13(9-16)18-15(17-11)19(2)10-12-4-6-14(20-3)7-5-12/h4-8H,9-10,16H2,1-3H3
InChIKeyOTMWLFFNZDGDQE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.89
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine

4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 107541718) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID107541718
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nc(C)cc(CN)n2)cc1
InChIInChI=1S/C15H20N4O/c1-11-8-13(9-16)18-15(17-11)19(2)10-12-4-6-14(20-3)7-5-12/h4-8H,9-10,16H2,1-3H3
InChIKeyOTMWLFFNZDGDQE-UHFFFAOYSA-N
XLogP1.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541722
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541784
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 78836350
2-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767323
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine (CID 107541718) is 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine is COc1ccc(CN(C)c2nc(C)cc(CN)n2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is OTMWLFFNZDGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-13(9-16)18-15(17-11)19(2)10-12-4-6-14(20-3)7-5-12/h4-8H,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine?
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 107541718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).