6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one

C10H15ClN2O — CID 58567461

IUPAC6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1c(Cl)ncn(C(C)C)c1=O
InChIInChI=1S/C10H15ClN2O/c1-6(2)8-9(11)12-5-13(7(3)4)10(8)14/h5-7H,1-4H3
InChIKeyQMJHVNQLRSQFRN-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.60
Rot. Bonds2

About 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one

6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one (PubChem CID 58567461) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one
PubChem CID58567461
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1c(Cl)ncn(C(C)C)c1=O
InChIInChI=1S/C10H15ClN2O/c1-6(2)8-9(11)12-5-13(7(3)4)10(8)14/h5-7H,1-4H3
InChIKeyQMJHVNQLRSQFRN-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one (CID 58567461) is 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one is CC(C)c1c(Cl)ncn(C(C)C)c1=O.
What is the InChIKey of 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is QMJHVNQLRSQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(2)8-9(11)12-5-13(7(3)4)10(8)14/h5-7H,1-4H3.
What are the key properties of 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one?
6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 214.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,5-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 58567461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).