4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine

C14H18N4O — CID 80794623

IUPAC4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1cccc(CN(C)c2cc(N)nc(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-10-16-13(15)8-14(17-10)18(2)9-11-5-4-6-12(7-11)19-3/h4-8H,9H2,1-3H3,(H2,15,16,17)
InChIKeyCVYAWGHYCGQLFL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds4

About 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine

4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80794623) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80794623
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1cccc(CN(C)c2cc(N)nc(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-10-16-13(15)8-14(17-10)18(2)9-11-5-4-6-12(7-11)19-3/h4-8H,9H2,1-3H3,(H2,15,16,17)
InChIKeyCVYAWGHYCGQLFL-UHFFFAOYSA-N
XLogP2.01
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 112724532
4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872251
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 171690653
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine (CID 80794623) is 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine is COc1cccc(CN(C)c2cc(N)nc(C)n2)c1.
What is the InChIKey of 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is CVYAWGHYCGQLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-16-13(15)8-14(17-10)18(2)9-11-5-4-6-12(7-11)19-3/h4-8H,9H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).