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

C6H8ClN3O2 — CID 114582467

IUPAC5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCO)c1=O
InChIInChI=1S/C6H8ClN3O2/c7-5-4(8)6(12)10(1-2-11)3-9-5/h3,11H,1-2,8H2
InChIKeyHXEVDTBUUYUUMG-UHFFFAOYSA-N
MW189.60 g/mol
LogP-0.53
Rot. Bonds2

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

5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 114582467) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID114582467
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCO)c1=O
InChIInChI=1S/C6H8ClN3O2/c7-5-4(8)6(12)10(1-2-11)3-9-5/h3,11H,1-2,8H2
InChIKeyHXEVDTBUUYUUMG-UHFFFAOYSA-N
XLogP-0.53
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride
CID 138585470
5-Amino-3-(2-hydroxyethyl)pyrimidin-4-one
CID 138585471
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
5-Amino-3-(2-butoxyethyl)-6-chloropyrimidin-4-one
CID 114582486
5-Amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114582491
5-Amino-6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582529
5-Amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582550
5-Amino-6-chloro-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 114582561
5-Amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582562
5-Amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
CID 114582578
5-Amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114582590

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one (CID 114582467) is 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCO)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is HXEVDTBUUYUUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c7-5-4(8)6(12)10(1-2-11)3-9-5/h3,11H,1-2,8H2.
What are the key properties of 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 189.60 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114582467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).