6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride

C7H11ClN2O — CID 75485330

IUPAC6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride
SMILESCC(C)c1ccnc(=O)[nH]1.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5(2)6-3-4-8-7(10)9-6;/h3-5H,1-2H3,(H,8,9,10);1H
InChIKeyMEWGPNZSMKKXQO-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.32
Rot. Bonds1

About 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride

6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride (PubChem CID 75485330) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride
PubChem CID75485330
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride
SMILESCC(C)c1ccnc(=O)[nH]1.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5(2)6-3-4-8-7(10)9-6;/h3-5H,1-2H3,(H,8,9,10);1H
InChIKeyMEWGPNZSMKKXQO-UHFFFAOYSA-N
XLogP1.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride (CID 75485330) is 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride is CC(C)c1ccnc(=O)[nH]1.Cl.
What is the InChIKey of 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is MEWGPNZSMKKXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-5(2)6-3-4-8-7(10)9-6;/h3-5H,1-2H3,(H,8,9,10);1H.
What are the key properties of 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride?
6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 75485330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).