1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride

C6H10ClN3O — CID 44887124

IUPAC1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride
SMILESCNc1ccn(C)c(=O)n1.Cl
InChIInChI=1S/C6H9N3O.ClH/c1-7-5-3-4-9(2)6(10)8-5;/h3-4H,1-2H3,(H,7,8,10);1H
InChIKeySTRMTAULCCGIJN-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.24
Rot. Bonds1

About 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride

1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride (PubChem CID 44887124) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride
PubChem CID44887124
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride
SMILESCNc1ccn(C)c(=O)n1.Cl
InChIInChI=1S/C6H9N3O.ClH/c1-7-5-3-4-9(2)6(10)8-5;/h3-4H,1-2H3,(H,7,8,10);1H
InChIKeySTRMTAULCCGIJN-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride?
The IUPAC name of 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride (CID 44887124) is 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride is CNc1ccn(C)c(=O)n1.Cl.
What is the InChIKey of 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride?
The InChIKey is STRMTAULCCGIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.ClH/c1-7-5-3-4-9(2)6(10)8-5;/h3-4H,1-2H3,(H,7,8,10);1H.
What are the key properties of 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride?
1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 44887124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).