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

C6H8Cl2N2O — CID 21405088

IUPAC5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)[nH]c(C)c1Cl.Cl
InChIInChI=1S/C6H7ClN2O.ClH/c1-3-5(7)4(2)9-6(10)8-3;/h1-2H3,(H,8,9,10);1H
InChIKeyDGQNBUPSQFBENW-UHFFFAOYSA-N
MW195.05 g/mol
LogP1.46
Rot. Bonds

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

5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride (PubChem CID 21405088) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
PubChem CID21405088
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC Name5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)[nH]c(C)c1Cl.Cl
InChIInChI=1S/C6H7ClN2O.ClH/c1-3-5(7)4(2)9-6(10)8-3;/h1-2H3,(H,8,9,10);1H
InChIKeyDGQNBUPSQFBENW-UHFFFAOYSA-N
XLogP1.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
CID 608811
4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
CID 147755232
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 82503870
5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
CID 145286848
3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one
CID 609392
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
5-chloro-4,6-difluoro-1H-pyrimidin-2-one
CID 118548236
5-chloro-3-(dihydroxymethyl)-4,6-dimethyl-1H-pyridin-2-one
CID 135395307
4-methyl-7-sulfanyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-one
CID 143486515
4,5-dichloro-2-methyl-1H-pyrimidin-6-one
CID 135621449
5-amino-6-methyl-4-(methylamino)-1H-pyrimidin-2-one
CID 131028516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride (CID 21405088) is 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride is Cc1nc(=O)[nH]c(C)c1Cl.Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is DGQNBUPSQFBENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.ClH/c1-3-5(7)4(2)9-6(10)8-3;/h1-2H3,(H,8,9,10);1H.
What are the key properties of 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride?
5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 195.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 21405088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).