6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one

C10H15ClN2O3 — CID 114585172

IUPAC6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCOC(C)C)c1=O
InChIInChI=1S/C10H15ClN2O3/c1-7(2)16-5-4-13-6-12-9(11)8(15-3)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyNENAQVDNFUDDFD-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.33
Rot. Bonds5

About 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one

6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one (PubChem CID 114585172) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
PubChem CID114585172
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCOC(C)C)c1=O
InChIInChI=1S/C10H15ClN2O3/c1-7(2)16-5-4-13-6-12-9(11)8(15-3)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyNENAQVDNFUDDFD-UHFFFAOYSA-N
XLogP1.33
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one (CID 114585172) is 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one is COc1c(Cl)ncn(CCOC(C)C)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The InChIKey is NENAQVDNFUDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-7(2)16-5-4-13-6-12-9(11)8(15-3)10(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one has a molecular weight of 246.69 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(2-propan-2-yloxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114585172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).