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

C7H10ClN3O2 — CID 114582550

IUPAC5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
SMILESCC(O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O2/c1-4(12)2-11-3-10-6(8)5(9)7(11)13/h3-4,12H,2,9H2,1H3
InChIKeyHCMUKJWKCJANGX-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.14
Rot. Bonds2

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

5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one (PubChem CID 114582550) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
PubChem CID114582550
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
SMILESCC(O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O2/c1-4(12)2-11-3-10-6(8)5(9)7(11)13/h3-4,12H,2,9H2,1H3
InChIKeyHCMUKJWKCJANGX-UHFFFAOYSA-N
XLogP-0.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.14
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-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
6-Chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582111
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-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582529
5-Amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582562
5-Amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114582590
5-Amino-6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114582591
5-Amino-6-chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114582622
5-Amino-6-chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582652
5-Amino-6-chloro-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114582675

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one (CID 114582550) is 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one is CC(O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one?
The InChIKey is HCMUKJWKCJANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-4(12)2-11-3-10-6(8)5(9)7(11)13/h3-4,12H,2,9H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one has a molecular weight of 203.63 g/mol, XLogP of -0.14, 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-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).