5-amino-6-chloro-3-pentylpyrimidin-4-one

C9H14ClN3O — CID 114582471

IUPAC5-amino-6-chloro-3-pentylpyrimidin-4-one
SMILESCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H14ClN3O/c1-2-3-4-5-13-6-12-8(10)7(11)9(13)14/h6H,2-5,11H2,1H3
InChIKeyNPOTWVMYXUUBBK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.67
Rot. Bonds4

About 5-amino-6-chloro-3-pentylpyrimidin-4-one

5-amino-6-chloro-3-pentylpyrimidin-4-one (PubChem CID 114582471) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-amino-6-chloro-3-pentylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-pentylpyrimidin-4-one
PubChem CID114582471
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-amino-6-chloro-3-pentylpyrimidin-4-one
SMILESCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H14ClN3O/c1-2-3-4-5-13-6-12-8(10)7(11)9(13)14/h6H,2-5,11H2,1H3
InChIKeyNPOTWVMYXUUBBK-UHFFFAOYSA-N
XLogP1.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5,6-Diamino-3-propylpyrimidin-4(3H)-one
CID 67076582
5-Amino-6-chloro-3-hept-6-enylpyrimidin-4-one
CID 107010010
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
5-Amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913294
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
5-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]-6-chloropyrimidin-4-one
CID 113604272
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-pentylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-pentylpyrimidin-4-one (CID 114582471) is 5-amino-6-chloro-3-pentylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-pentylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-pentylpyrimidin-4-one is CCCCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-pentylpyrimidin-4-one?
The InChIKey is NPOTWVMYXUUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-3-4-5-13-6-12-8(10)7(11)9(13)14/h6H,2-5,11H2,1H3.
What are the key properties of 5-amino-6-chloro-3-pentylpyrimidin-4-one?
5-amino-6-chloro-3-pentylpyrimidin-4-one has a molecular weight of 215.68 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-pentylpyrimidin-4-one is sourced from PubChem (CID 114582471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).