4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine

C15H20N4O2 — CID 80769404

IUPAC4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(N)ncc2C)cc1OCC
InChIInChI=1S/C15H20N4O2/c1-4-20-12-7-6-11(8-13(12)21-5-2)18-14-10(3)9-17-15(16)19-14/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyZISJZSQDOWQMGO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.91
Rot. Bonds6

About 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine

4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80769404) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80769404
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(N)ncc2C)cc1OCC
InChIInChI=1S/C15H20N4O2/c1-4-20-12-7-6-11(8-13(12)21-5-2)18-14-10(3)9-17-15(16)19-14/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyZISJZSQDOWQMGO-UHFFFAOYSA-N
XLogP2.91
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
CID 104532247
4-N-[4-(diethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80828929
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
CID 114262803
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 80768905
3-[(2-amino-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80760475
4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80851369
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine (CID 80769404) is 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine is CCOc1ccc(Nc2nc(N)ncc2C)cc1OCC.
What is the InChIKey of 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is ZISJZSQDOWQMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-20-12-7-6-11(8-13(12)21-5-2)18-14-10(3)9-17-15(16)19-14/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine?
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80769404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).