4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine

C14H18N4O — CID 80825346

IUPAC4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C)nc(N)c2C)c(C)c1
InChIInChI=1S/C14H18N4O/c1-8-7-11(19-4)5-6-12(8)18-14-9(2)13(15)16-10(3)17-14/h5-7H,1-4H3,(H3,15,16,17,18)
InChIKeyKKXNKNXZPGEWII-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.74
Rot. Bonds3

About 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80825346) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80825346
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C)nc(N)c2C)c(C)c1
InChIInChI=1S/C14H18N4O/c1-8-7-11(19-4)5-6-12(8)18-14-9(2)13(15)16-10(3)17-14/h5-7H,1-4H3,(H3,15,16,17,18)
InChIKeyKKXNKNXZPGEWII-UHFFFAOYSA-N
XLogP2.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80825346) is 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine is COc1ccc(Nc2nc(C)nc(N)c2C)c(C)c1.
What is the InChIKey of 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is KKXNKNXZPGEWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-7-11(19-4)5-6-12(8)18-14-9(2)13(15)16-10(3)17-14/h5-7H,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).