5-amino-3-butyl-6-chloropyrimidin-4-one

C8H12ClN3O — CID 114582684

IUPAC5-amino-3-butyl-6-chloropyrimidin-4-one
SMILESCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O/c1-2-3-4-12-5-11-7(9)6(10)8(12)13/h5H,2-4,10H2,1H3
InChIKeyWCMICZQYIOTVSJ-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.28
Rot. Bonds3

About 5-amino-3-butyl-6-chloropyrimidin-4-one

5-amino-3-butyl-6-chloropyrimidin-4-one (PubChem CID 114582684) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-amino-3-butyl-6-chloropyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-butyl-6-chloropyrimidin-4-one
PubChem CID114582684
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-amino-3-butyl-6-chloropyrimidin-4-one
SMILESCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O/c1-2-3-4-12-5-11-7(9)6(10)8(12)13/h5H,2-4,10H2,1H3
InChIKeyWCMICZQYIOTVSJ-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582482
5-Amino-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582494
5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582648
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-Amino-6-chloro-3-methylpyrimidin-4(3H)-one
CID 12350064
5,6-Diamino-3-propylpyrimidin-4(3H)-one
CID 67076582
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 121553549
5-Amino-3-propylpyrimidin-4-one;hydrochloride
CID 138585613
5-Amino-3-propylpyrimidin-4-one
CID 138585614
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;hydrochloride
CID 141659432

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butyl-6-chloropyrimidin-4-one?
The IUPAC name of 5-amino-3-butyl-6-chloropyrimidin-4-one (CID 114582684) is 5-amino-3-butyl-6-chloropyrimidin-4-one.
What is the SMILES notation for 5-amino-3-butyl-6-chloropyrimidin-4-one?
The canonical SMILES for 5-amino-3-butyl-6-chloropyrimidin-4-one is CCCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-3-butyl-6-chloropyrimidin-4-one?
The InChIKey is WCMICZQYIOTVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-3-4-12-5-11-7(9)6(10)8(12)13/h5H,2-4,10H2,1H3.
What are the key properties of 5-amino-3-butyl-6-chloropyrimidin-4-one?
5-amino-3-butyl-6-chloropyrimidin-4-one has a molecular weight of 201.66 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-6-chloropyrimidin-4-one is sourced from PubChem (CID 114582684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).