4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

C14H18N4O2 — CID 56811795

IUPAC4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(CNc2cc(C)nc(N)n2)c1
InChIInChI=1S/C14H18N4O2/c1-9-6-13(18-14(15)17-9)16-8-10-7-11(19-2)4-5-12(10)20-3/h4-7H,8H2,1-3H3,(H3,15,16,17,18)
InChIKeyXGROZTGFXQCFKQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds5

About 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 56811795) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID56811795
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(CNc2cc(C)nc(N)n2)c1
InChIInChI=1S/C14H18N4O2/c1-9-6-13(18-14(15)17-9)16-8-10-7-11(19-2)4-5-12(10)20-3/h4-7H,8H2,1-3H3,(H3,15,16,17,18)
InChIKeyXGROZTGFXQCFKQ-UHFFFAOYSA-N
XLogP2.00
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 154758297
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
CID 169247534
4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 176550125
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112672257
ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886311
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrimidine-4,6-diamine
CID 170305614
2-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918506

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 56811795) is 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is COc1ccc(OC)c(CNc2cc(C)nc(N)n2)c1.
What is the InChIKey of 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is XGROZTGFXQCFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-6-13(18-14(15)17-9)16-8-10-7-11(19-2)4-5-12(10)20-3/h4-7H,8H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 56811795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).