6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine

C8H10N4 — CID 90884896

IUPAC6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine
SMILESCn1cc(C2=CCN=CN2)cn1
InChIInChI=1S/C8H10N4/c1-12-5-7(4-11-12)8-2-3-9-6-10-8/h2,4-6H,3H2,1H3,(H,9,10)
InChIKeyVHVQZVAAWHTQNL-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.39
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine

6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine (PubChem CID 90884896) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine
PubChem CID90884896
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine
SMILESCn1cc(C2=CCN=CN2)cn1
InChIInChI=1S/C8H10N4/c1-12-5-7(4-11-12)8-2-3-9-6-10-8/h2,4-6H,3H2,1H3,(H,9,10)
InChIKeyVHVQZVAAWHTQNL-UHFFFAOYSA-N
XLogP0.39
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3E)-3-[[1-(3-cyano-1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]methylidene]-1H-pyrrol-2-ylidene]-N'-methylmethanimidamide
CID 137209325
cyclopropane;N'-methyl-2-[[[(E)-2-(1-methylpyrazol-4-yl)ethenyl]amino]methyl]-N-[(3E,5E)-7,7,7-trifluoro-4-methylhepta-1,3,5-trien-3-yl]prop-2-enimidamide
CID 144319122
7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 151820760
(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
6-(1-methylpyrazol-4-yl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106716261
6-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776744
6-(1-propylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776751
6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113868904
6-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 113875991
N'-methyl-2-[[[(E)-2-(1-methylpyrazol-4-yl)ethenyl]amino]methyl]-N-[(3E,5E)-7,7,7-trifluoro-4-methylhepta-1,3,5-trien-3-yl]prop-2-enimidamide
CID 144319123
1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
CID 177039474
1-methyl-7-(1-methyl-1H-pyrazol-4-yl)-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]pyridine
CID 58009932

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine (CID 90884896) is 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine is Cn1cc(C2=CCN=CN2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine?
The InChIKey is VHVQZVAAWHTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-5-7(4-11-12)8-2-3-9-6-10-8/h2,4-6H,3H2,1H3,(H,9,10).
What are the key properties of 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine?
6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine has a molecular weight of 162.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 90884896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).