5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one

C12H12ClN3O2 — CID 2207638

IUPAC5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one
SMILESO=c1c(Cl)c(NCCO)ncn1-c1ccccc1
InChIInChI=1S/C12H12ClN3O2/c13-10-11(14-6-7-17)15-8-16(12(10)18)9-4-2-1-3-5-9/h1-5,8,14,17H,6-7H2
InChIKeyCMUUUHKSXRQNTC-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.29
Rot. Bonds4

About 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one

5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one (PubChem CID 2207638) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one
PubChem CID2207638
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one
SMILESO=c1c(Cl)c(NCCO)ncn1-c1ccccc1
InChIInChI=1S/C12H12ClN3O2/c13-10-11(14-6-7-17)15-8-16(12(10)18)9-4-2-1-3-5-9/h1-5,8,14,17H,6-7H2
InChIKeyCMUUUHKSXRQNTC-UHFFFAOYSA-N
XLogP1.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24968232
2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one
CID 169101443
5-Chloro-3-(4-fluorophenyl)-6-(methylamino)pyrimidin-4-one
CID 91086612
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 114582949
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 114582951
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114583212
5-chloro-4-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136970457
5-chloro-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one
CID 136970575
5-chloro-4-(3-fluoroanilino)-1H-pyrimidin-6-one
CID 136970587
5-chloro-4-(4-fluoroanilino)-1H-pyrimidin-6-one
CID 136970608
5-chloro-4-(2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970614
5-chloro-4-(2,4-difluoroanilino)-1H-pyrimidin-6-one
CID 136970620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one?
The IUPAC name of 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one (CID 2207638) is 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one.
What is the SMILES notation for 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one?
The canonical SMILES for 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one is O=c1c(Cl)c(NCCO)ncn1-c1ccccc1.
What is the InChIKey of 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one?
The InChIKey is CMUUUHKSXRQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-10-11(14-6-7-17)15-8-16(12(10)18)9-4-2-1-3-5-9/h1-5,8,14,17H,6-7H2.
What are the key properties of 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one?
5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one has a molecular weight of 265.70 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-hydroxyethylamino)-3-phenylpyrimidin-4-one is sourced from PubChem (CID 2207638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).