4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane

C8H14ClN3O — CID 143220714

IUPAC4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
SMILESCC.CCNc1c(Cl)nc[nH]c1=O
InChIInChI=1S/C6H8ClN3O.C2H6/c1-2-8-4-5(7)9-3-10-6(4)11;1-2/h3,8H,2H2,1H3,(H,9,10,11);1-2H3
InChIKeyGJTMKESNDVENFV-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.88
Rot. Bonds2

About 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane

4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane (PubChem CID 143220714) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
PubChem CID143220714
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
SMILESCC.CCNc1c(Cl)nc[nH]c1=O
InChIInChI=1S/C6H8ClN3O.C2H6/c1-2-8-4-5(7)9-3-10-6(4)11;1-2/h3,8H,2H2,1H3,(H,9,10,11);1-2H3
InChIKeyGJTMKESNDVENFV-UHFFFAOYSA-N
XLogP1.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane 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

Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890
6-Chloro-5-(methylamino)pyrimidin-4-ol
CID 135422287
Pyrimidine, 5-cyanomethylamino-4-hydroxy-6-methylamino-
CID 137197399
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-Amino-6-chloro-pyrimidin-4-ol
CID 135431322
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
n-(6-Methyl-4-oxo-1,4-dihydropyrimidin-5-yl)acetamide
CID 135426857
6-Amino-5-butylamino-4(3H)-pyrimidinone
CID 135577490
2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
5-(butylamino)-1H-pyrimidin-6-one
CID 68741569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane?
The IUPAC name of 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane (CID 143220714) is 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane is CC.CCNc1c(Cl)nc[nH]c1=O.
What is the InChIKey of 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane?
The InChIKey is GJTMKESNDVENFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O.C2H6/c1-2-8-4-5(7)9-3-10-6(4)11;1-2/h3,8H,2H2,1H3,(H,9,10,11);1-2H3.
What are the key properties of 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane?
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane has a molecular weight of 203.67 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane is sourced from PubChem (CID 143220714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).