2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine

C14H18N4O — CID 80935459

IUPAC2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(OC)c(C)c2)n1
InChIInChI=1S/C14H18N4O/c1-4-13-17-12(15)8-14(18-13)16-10-5-6-11(19-3)9(2)7-10/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyZQAUSOLVCFTMHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds4

About 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine

2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80935459) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80935459
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(OC)c(C)c2)n1
InChIInChI=1S/C14H18N4O/c1-4-13-17-12(15)8-14(18-13)16-10-5-6-11(19-3)9(2)7-10/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyZQAUSOLVCFTMHG-UHFFFAOYSA-N
XLogP2.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
4-ethyl-N-(4-methoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 143126757
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214669
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933746
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80933085
6-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyrazin-2-amine
CID 80897203

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine (CID 80935459) is 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2ccc(OC)c(C)c2)n1.
What is the InChIKey of 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZQAUSOLVCFTMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-13-17-12(15)8-14(18-13)16-10-5-6-11(19-3)9(2)7-10/h5-8H,4H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine?
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80935459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).