5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

C10H15ClN2O3 — CID 106448541

IUPAC5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyDTWBWLXVBHDIDV-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.47
Rot. Bonds6

About 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 106448541) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID106448541
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O3/c1-7(2)5-15-3-4-16-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyDTWBWLXVBHDIDV-UHFFFAOYSA-N
XLogP1.47
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.47
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-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179360
5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489522
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
5-iodo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448547
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
5-chloro-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 113812206
4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586451
5-chloro-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675862
4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114675889
5-chloro-4-ethoxy-1H-pyrimidin-6-one
CID 114675913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (CID 106448541) is 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is CC(C)COCCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is DTWBWLXVBHDIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-7(2)5-15-3-4-16-10-8(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-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 246.69 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).