5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one

C7H10ClN3O3 — CID 114582590

IUPAC5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(O)CO)c1=O
InChIInChI=1S/C7H10ClN3O3/c8-6-5(9)7(14)11(3-10-6)1-4(13)2-12/h3-4,12-13H,1-2,9H2
InChIKeyKRNGQVDPYACCLB-UHFFFAOYSA-N
MW219.63 g/mol
LogP-1.17
Rot. Bonds3

About 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one

5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one (PubChem CID 114582590) has the molecular formula C7H10ClN3O3 and a molecular weight of 219.63 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
PubChem CID114582590
Molecular FormulaC7H10ClN3O3
Molecular Weight219.63 g/mol
Exact Mass219.04
IUPAC Name5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(O)CO)c1=O
InChIInChI=1S/C7H10ClN3O3/c8-6-5(9)7(14)11(3-10-6)1-4(13)2-12/h3-4,12-13H,1-2,9H2
InChIKeyKRNGQVDPYACCLB-UHFFFAOYSA-N
XLogP-1.17
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114582154
5-Amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114582467
5-Amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114582491
5-Amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582550
5-Amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
CID 114582578
5-Amino-6-chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114582622
5-Amino-6-chloro-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114582675
5,6-Dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114583019
6-Chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one
CID 114583872
5-Amino-6-chloro-3-(2-hydroxy-3-methylbutyl)pyrimidin-4-one
CID 130495502

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one (CID 114582590) is 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC(O)CO)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The InChIKey is KRNGQVDPYACCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3/c8-6-5(9)7(14)11(3-10-6)1-4(13)2-12/h3-4,12-13H,1-2,9H2.
What are the key properties of 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one has a molecular weight of 219.63 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).