5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one

C11H16ClN3O — CID 107010010

IUPAC5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one
SMILESC=CCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H16ClN3O/c1-2-3-4-5-6-7-15-8-14-10(12)9(13)11(15)16/h2,8H,1,3-7,13H2
InChIKeySQZJPFKOCWVSLV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.23
Rot. Bonds6

About 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one

5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one (PubChem CID 107010010) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one
PubChem CID107010010
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one
SMILESC=CCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H16ClN3O/c1-2-3-4-5-6-7-15-8-14-10(12)9(13)11(15)16/h2,8H,1,3-7,13H2
InChIKeySQZJPFKOCWVSLV-UHFFFAOYSA-N
XLogP2.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-3-hept-6-enylpyrimidin-4-one
CID 107010009
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-6-chloro-3-octylpyrimidin-4-one
CID 114582472
5-Amino-3-but-3-en-2-yl-6-chloropyrimidin-4-one
CID 114582493
5-Amino-3-but-3-enyl-6-chloropyrimidin-4-one
CID 114582579
5-Amino-6-chloro-3-pent-4-enylpyrimidin-4-one
CID 114582626
5-Amino-6-chloro-3-heptylpyrimidin-4-one
CID 114582633
5-Amino-6-chloro-3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114582693
5-Amino-6-chloro-3-hexylpyrimidin-4-one
CID 114582700
5-Amino-6-chloro-3-(2-methylidenebutyl)pyrimidin-4-one
CID 114582804
5-Amino-6-chloro-3-nonylpyrimidin-4-one
CID 114582876

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one (CID 107010010) is 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one is C=CCCCCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one?
The InChIKey is SQZJPFKOCWVSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-3-4-5-6-7-15-8-14-10(12)9(13)11(15)16/h2,8H,1,3-7,13H2.
What are the key properties of 5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one?
5-amino-6-chloro-3-hept-6-enylpyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 2.23, 6 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-hept-6-enylpyrimidin-4-one is sourced from PubChem (CID 107010010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).