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

C14H18N4O — CID 80794833

IUPAC4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)Cc2cccc(OC)c2)n1
InChIInChI=1S/C14H18N4O/c1-15-14-16-8-7-13(17-14)18(2)10-11-5-4-6-12(9-11)19-3/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyUKGQKANTSCIJJV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds5

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

4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80794833) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80794833
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)Cc2cccc(OC)c2)n1
InChIInChI=1S/C14H18N4O/c1-15-14-16-8-7-13(17-14)18(2)10-11-5-4-6-12(9-11)19-3/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyUKGQKANTSCIJJV-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 171690653
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756557

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80794833) is 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1nccc(N(C)Cc2cccc(OC)c2)n1.
What is the InChIKey of 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is UKGQKANTSCIJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14-16-8-7-13(17-14)18(2)10-11-5-4-6-12(9-11)19-3/h4-9H,10H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.16, 5 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]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).