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

C14H18N4O — CID 80760040

IUPAC5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H18N4O/c1-4-12-13(15-2)16-9-17-14(12)18-10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyQPRXWSSXSZSAFX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds5

About 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80760040) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80760040
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H18N4O/c1-4-12-13(15-2)16-9-17-14(12)18-10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyQPRXWSSXSZSAFX-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-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80772920
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
4-N-(4-methoxyphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486954
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 115379675

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80760040) is 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is QPRXWSSXSZSAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-12-13(15-2)16-9-17-14(12)18-10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
5-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 5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).