5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine

C12H13ClN4O — CID 114049785

IUPAC5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1ncnc(N)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-2-18-9-6-4-3-5-8(9)17-12-10(13)11(14)15-7-16-12/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyFGIJBKALXYGTTO-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine

5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 114049785) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID114049785
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1ncnc(N)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-2-18-9-6-4-3-5-8(9)17-12-10(13)11(14)15-7-16-12/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyFGIJBKALXYGTTO-UHFFFAOYSA-N
XLogP2.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153096
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
4-N-(2-ethoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19153756
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153044
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine (CID 114049785) is 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine is CCOc1ccccc1Nc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is FGIJBKALXYGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-18-9-6-4-3-5-8(9)17-12-10(13)11(14)15-7-16-12/h3-7H,2H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114049785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).