2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

C14H18N4O — CID 80933993

IUPAC2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N4O/c1-4-12-17-13(15-2)9-14(18-12)16-10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyONGCHGKQGVFDKI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds5

About 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80933993) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80933993
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N4O/c1-4-12-17-13(15-2)9-14(18-12)16-10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyONGCHGKQGVFDKI-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313
2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933742
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934372

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80933993) is 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is ONGCHGKQGVFDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-12-17-13(15-2)9-14(18-12)16-10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.83, 5 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-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).