(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone

C13H12ClN3O2 — CID 164662800

IUPAC(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2c(N)ncnc2Cl)cc1
InChIInChI=1S/C13H12ClN3O2/c1-2-19-9-5-3-8(4-6-9)11(18)10-12(14)16-7-17-13(10)15/h3-7H,2H2,1H3,(H2,15,16,17)
InChIKeyHXDRKBYXBNNQKV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.34
Rot. Bonds4

About (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone

(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone (PubChem CID 164662800) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone
PubChem CID164662800
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2c(N)ncnc2Cl)cc1
InChIInChI=1S/C13H12ClN3O2/c1-2-19-9-5-3-8(4-6-9)11(18)10-12(14)16-7-17-13(10)15/h3-7H,2H2,1H3,(H2,15,16,17)
InChIKeyHXDRKBYXBNNQKV-UHFFFAOYSA-N
XLogP2.34
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
CID 79773002
(1E,5E)-1,6-bis(4-ethoxyphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
CID 20834174
N-(2-amino-5-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 29155614
1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one
CID 123620682
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
4-(4-ethoxyphenyl)benzamide
CID 163572533
[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone
CID 21448713
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(3-amino-1,2,4-triazol-4-yl)-(4-ethoxyphenyl)methanone
CID 891558

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone (CID 164662800) is (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2c(N)ncnc2Cl)cc1.
What is the InChIKey of (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone?
The InChIKey is HXDRKBYXBNNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-2-19-9-5-3-8(4-6-9)11(18)10-12(14)16-7-17-13(10)15/h3-7H,2H2,1H3,(H2,15,16,17).
What are the key properties of (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone?
(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone has a molecular weight of 277.71 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 164662800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).