5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one

C10H15ClN2O2 — CID 103284591

IUPAC5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
SMILESCCCC(C)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyATCZJHPQSZXHER-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.24
Rot. Bonds5

About 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one

5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one (PubChem CID 103284591) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
PubChem CID103284591
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
SMILESCCCC(C)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyATCZJHPQSZXHER-UHFFFAOYSA-N
XLogP2.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
5-bromo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284594
5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284599
4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103286552
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106203679
5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448541
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586476
4-(2-amino-2-methylbutoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586485
5-chloro-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one (CID 103284591) is 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one is CCCC(C)COc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The InChIKey is ATCZJHPQSZXHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one has a molecular weight of 230.69 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).