3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one

C12H17N5O — CID 62193988

IUPAC3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one
SMILESCNc1c(Cn2cnc(C)cc2=O)c(C)nn1C
InChIInChI=1S/C12H17N5O/c1-8-5-11(18)17(7-14-8)6-10-9(2)15-16(4)12(10)13-3/h5,7,13H,6H2,1-4H3
InChIKeyHRLHQQNVOCFZIP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.68
Rot. Bonds3

About 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one

3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one (PubChem CID 62193988) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one
PubChem CID62193988
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one
SMILESCNc1c(Cn2cnc(C)cc2=O)c(C)nn1C
InChIInChI=1S/C12H17N5O/c1-8-5-11(18)17(7-14-8)6-10-9(2)15-16(4)12(10)13-3/h5,7,13H,6H2,1-4H3
InChIKeyHRLHQQNVOCFZIP-UHFFFAOYSA-N
XLogP0.68
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
CID 62208487
3-(2-chloroethyl)-6-methylpyrimidin-4-one
CID 61224367
1-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methyl]pyridin-2-one
CID 62208668
3-(3-chloropropyl)-6-methylpyrimidin-4-one
CID 61224365
3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-methylpyrimidin-4-one
CID 80608725
N,1,3-trimethyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazol-5-amine
CID 62195408
3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 79259568
methyl 4-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoate
CID 61224361
N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62189145
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55045017
3-[(2,6-dichloro-3-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 106994118

Frequently Asked Questions

What is the IUPAC name of 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one (CID 62193988) is 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one is CNc1c(Cn2cnc(C)cc2=O)c(C)nn1C.
What is the InChIKey of 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one?
The InChIKey is HRLHQQNVOCFZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-11(18)17(7-14-8)6-10-9(2)15-16(4)12(10)13-3/h5,7,13H,6H2,1-4H3.
What are the key properties of 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one?
3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62193988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).