5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane

C10H17ClN2O — CID 145286848

IUPAC5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
SMILESCC(C)C.Cc1nc(C)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H7ClN2O.C4H10/c1-3-5(7)6(10)9-4(2)8-3;1-4(2)3/h1-2H3,(H,8,9,10);4H,1-3H3
InChIKeyPKUCVMMBMZBKTJ-UHFFFAOYSA-N
MW216.71 g/mol
LogP2.70
Rot. Bonds

About 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane

5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane (PubChem CID 145286848) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane.

Molecular Properties

Compound Name5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
PubChem CID145286848
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
SMILESCC(C)C.Cc1nc(C)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H7ClN2O.C4H10/c1-3-5(7)6(10)9-4(2)8-3;1-4(2)3/h1-2H3,(H,8,9,10);4H,1-3H3
InChIKeyPKUCVMMBMZBKTJ-UHFFFAOYSA-N
XLogP2.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane?
The IUPAC name of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane (CID 145286848) is 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane.
What is the SMILES notation for 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane?
The canonical SMILES for 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane is CC(C)C.Cc1nc(C)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane?
The InChIKey is PKUCVMMBMZBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.C4H10/c1-3-5(7)6(10)9-4(2)8-3;1-4(2)3/h1-2H3,(H,8,9,10);4H,1-3H3.
What are the key properties of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane?
5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane has a molecular weight of 216.71 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane is sourced from PubChem (CID 145286848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).