6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine

C14H18N4O2 — CID 19149233

IUPAC6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(OCC)c2N)cc1
InChIInChI=1S/C14H18N4O2/c1-3-19-11-7-5-10(6-8-11)18-13-12(15)14(20-4-2)17-9-16-13/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyRKVSQUHPZCQBNT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.60
Rot. Bonds6

About 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine

6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19149233) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19149233
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(OCC)c2N)cc1
InChIInChI=1S/C14H18N4O2/c1-3-19-11-7-5-10(6-8-11)18-13-12(15)14(20-4-2)17-9-16-13/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyRKVSQUHPZCQBNT-UHFFFAOYSA-N
XLogP2.60
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
ethyl 4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]benzoate
CID 19146384
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149265
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
4-N-(1-adamantyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143468

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine (CID 19149233) is 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine is CCOc1ccc(Nc2ncnc(OCC)c2N)cc1.
What is the InChIKey of 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is RKVSQUHPZCQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-19-11-7-5-10(6-8-11)18-13-12(15)14(20-4-2)17-9-16-13/h5-9H,3-4,15H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19149233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).