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

C7H10ClN3O2 — CID 114582491

IUPAC5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCO)c1=O
InChIInChI=1S/C7H10ClN3O2/c8-6-5(9)7(13)11(4-10-6)2-1-3-12/h4,12H,1-3,9H2
InChIKeyNDAIMKMUCHWHLM-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.14
Rot. Bonds3

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

5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one (PubChem CID 114582491) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
PubChem CID114582491
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCO)c1=O
InChIInChI=1S/C7H10ClN3O2/c8-6-5(9)7(13)11(4-10-6)2-1-3-12/h4,12H,1-3,9H2
InChIKeyNDAIMKMUCHWHLM-UHFFFAOYSA-N
XLogP-0.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706074
5-Amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114582467
5-Amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582550
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-3-methylbutyl)pyrimidin-4-one
CID 114582669
5-Amino-6-chloro-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114582675
5-Amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114582691
5-Amino-6-chloro-3-(3-ethoxypropyl)pyrimidin-4-one
CID 114582734
5-Amino-6-chloro-3-(4-methoxybutan-2-yl)pyrimidin-4-one
CID 114582766

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one (CID 114582491) is 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCCO)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The InChIKey is NDAIMKMUCHWHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-6-5(9)7(13)11(4-10-6)2-1-3-12/h4,12H,1-3,9H2.
What are the key properties of 5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
5-amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one has a molecular weight of 203.63 g/mol, XLogP of -0.14, 3 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-(3-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).