4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride

C8H11ClN2O — CID 19804693

IUPAC4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride
SMILESCc1cc(C2CC2)nc(=O)[nH]1.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-5-4-7(6-2-3-6)10-8(11)9-5;/h4,6H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyLPWZYOBNSFIQFZ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.38
Rot. Bonds1

About 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride

4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride (PubChem CID 19804693) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride
PubChem CID19804693
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride
SMILESCc1cc(C2CC2)nc(=O)[nH]1.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-5-4-7(6-2-3-6)10-8(11)9-5;/h4,6H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyLPWZYOBNSFIQFZ-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclopropyl-6-methylpyrimidin-2(1H)-one
CID 19804694
4,6-Diisopropylpyrimidine-2-ol
CID 59336135
Pyrimidine, 5-allyl-2-hydroxy-4,6-dimethyl-
CID 45064206
4-Methyl-6-(propan-2-yl)pyrimidin-2-ol
CID 75454674
4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one
CID 143883702
6-Ethyl-4-methyl-1,2-dihydropyrimidin-2-one
CID 12343172
4,6-diethyl-1H-pyrimidin-2-one;hydrochloride
CID 68882752
4,6-diethyl-1H-pyrimidin-2-one
CID 68882753
6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one
CID 106517838
2-Hyroxy-4-(tert-butyl)-6-methylpyrimidine
CID 116894739
4-Cyclopropyl-6-methyl-1,2-dihydropyrimidine
CID 118486712
3-hydroxy-6-methyl-4-(2-methylpropyl)-1H-pyrimidin-3-ium-2-one
CID 123782033

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride (CID 19804693) is 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride is Cc1cc(C2CC2)nc(=O)[nH]1.Cl.
What is the InChIKey of 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is LPWZYOBNSFIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c1-5-4-7(6-2-3-6)10-8(11)9-5;/h4,6H,2-3H2,1H3,(H,9,10,11);1H.
What are the key properties of 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride?
4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 19804693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).