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

C14H18N4O — CID 80770615

IUPAC4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccccc2OC)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(15-2)8-14(18-10)16-9-11-6-4-5-7-12(11)19-3/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMYAAGSWUDBJZFG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.45
Rot. Bonds5

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

4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80770615) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80770615
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccccc2OC)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(15-2)8-14(18-10)16-9-11-6-4-5-7-12(11)19-3/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMYAAGSWUDBJZFG-UHFFFAOYSA-N
XLogP2.45
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872040
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872842
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112872828
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200
4-N-(2,4-dichlorophenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872879
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370215
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine (CID 80770615) is 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(NCc2ccccc2OC)nc(C)n1.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is MYAAGSWUDBJZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-17-13(15-2)8-14(18-10)16-9-11-6-4-5-7-12(11)19-3/h4-8H,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80770615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).