5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one

C10H17ClN4O — CID 114582542

IUPAC5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H17ClN4O/c1-3-14(4-2)5-6-15-7-13-9(11)8(12)10(15)16/h7H,3-6,12H2,1-2H3
InChIKeyNSKWKWJTNXXBRK-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.82
Rot. Bonds5

About 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one

5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one (PubChem CID 114582542) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
PubChem CID114582542
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H17ClN4O/c1-3-14(4-2)5-6-15-7-13-9(11)8(12)10(15)16/h7H,3-6,12H2,1-2H3
InChIKeyNSKWKWJTNXXBRK-UHFFFAOYSA-N
XLogP0.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one 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-amino-5-diethylamino-6-hydroxy-
CID 171384005
5-Amino-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582494
5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582648
5-Amino-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5-Amino-6-chloro-3-methylpyrimidin-4(3H)-one
CID 12350064
5,6-Diamino-3-propylpyrimidin-4(3H)-one
CID 67076582
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 121553549
5-Amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride
CID 138585701
5-Amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 138585702
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
CID 138601214

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one (CID 114582542) is 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one is CCN(CC)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The InChIKey is NSKWKWJTNXXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-3-14(4-2)5-6-15-7-13-9(11)8(12)10(15)16/h7H,3-6,12H2,1-2H3.
What are the key properties of 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one has a molecular weight of 244.73 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).