4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine

C12H14N4O — CID 79917337

IUPAC4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1cccc(Nc2ncncc2N)c1
InChIInChI=1S/C12H14N4O/c1-2-17-10-5-3-4-9(6-10)16-12-11(13)7-14-8-15-12/h3-8H,2,13H2,1H3,(H,14,15,16)
InChIKeyOUMGBOLFOBURJR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.20
Rot. Bonds4

About 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine

4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 79917337) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
PubChem CID79917337
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1cccc(Nc2ncncc2N)c1
InChIInChI=1S/C12H14N4O/c1-2-17-10-5-3-4-9(6-10)16-12-11(13)7-14-8-15-12/h3-8H,2,13H2,1H3,(H,14,15,16)
InChIKeyOUMGBOLFOBURJR-UHFFFAOYSA-N
XLogP2.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-ethoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80808104
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 79918947
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
4-N-naphthalen-2-ylpyrimidine-4,5-diamine
CID 79917712
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
6-chloro-N-(3-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62100386
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine (CID 79917337) is 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine is CCOc1cccc(Nc2ncncc2N)c1.
What is the InChIKey of 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is OUMGBOLFOBURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-17-10-5-3-4-9(6-10)16-12-11(13)7-14-8-15-12/h3-8H,2,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine?
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 230.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79917337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).