1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone

C12H10Cl4N4O2 — CID 160727205

IUPAC1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(Cl)ncnc1Cl.CC(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C6H6Cl2N2O.C6H4Cl2N2O/c2*1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3;2H,1H3
InChIKeyRTWDQYVKPCMKLF-UHFFFAOYSA-N
MW384.05 g/mol
LogP3.82
Rot. Bonds2

About 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone

1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone (PubChem CID 160727205) has the molecular formula C12H10Cl4N4O2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone
PubChem CID160727205
Molecular FormulaC12H10Cl4N4O2
Molecular Weight384.05 g/mol
Exact Mass381.96
IUPAC Name1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(Cl)ncnc1Cl.CC(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C6H6Cl2N2O.C6H4Cl2N2O/c2*1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3;2H,1H3
InChIKeyRTWDQYVKPCMKLF-UHFFFAOYSA-N
XLogP3.82
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.05
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloropyrimidine-5-carbonyl chloride;hydrochloride
CID 90421751
3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171869611
[(1-amino-2-methylpropylidene)amino] 4,6-dichloropyrimidine-5-carboxylate
CID 131742241
gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone
CID 19854375
4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
CID 171921195
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
4-chloro-6-methylsulfanylpyrimidine-5-carboxylic acid
CID 133056446
tert-butyl N-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118598888
N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 63731436
(1-aminoethylideneamino) 4-amino-6-chloropyrimidine-5-carboxylate
CID 154058320
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone (CID 160727205) is 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone is CC(=O)c1c(Cl)ncnc1Cl.CC(O)c1c(Cl)ncnc1Cl.
What is the InChIKey of 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone?
The InChIKey is RTWDQYVKPCMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O.C6H4Cl2N2O/c2*1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3;2H,1H3.
What are the key properties of 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone?
1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone has a molecular weight of 384.05 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone is sourced from PubChem (CID 160727205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).