5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one

C10H16ClN3O — CID 114582606

IUPAC5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
SMILESCC(C)(C)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3
InChIKeyJFSMQTYQIBZDJB-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.92
Rot. Bonds2

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

5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one (PubChem CID 114582606) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
PubChem CID114582606
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
SMILESCC(C)(C)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3
InChIKeyJFSMQTYQIBZDJB-UHFFFAOYSA-N
XLogP1.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036362
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604274
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
6-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)-2,2-dimethylhexanenitrile
CID 113868600
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-6-chloro-3-octylpyrimidin-4-one
CID 114582472
5-Amino-6-chloro-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 114582524
5-Amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582542
5-Amino-6-chloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582543
5-Amino-6-chloro-3-(4-methylpentyl)pyrimidin-4-one
CID 114582575

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one (CID 114582606) is 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one is CC(C)(C)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
The InChIKey is JFSMQTYQIBZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(2,3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3.
What are the key properties of 5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
5-amino-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one has a molecular weight of 229.71 g/mol, XLogP of 1.92, 2 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-(3,3-dimethylbutyl)pyrimidin-4-one is sourced from PubChem (CID 114582606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).