4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile

C10H9N5 — CID 155404865

IUPAC4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
SMILESCc1nc(-c2cnn(C)c2)ncc1C#N
InChIInChI=1S/C10H9N5/c1-7-8(3-11)4-12-10(14-7)9-5-13-15(2)6-9/h4-6H,1-2H3
InChIKeyREHKDXPMEDVBCJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.06
Rot. Bonds1

About 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile

4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile (PubChem CID 155404865) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
PubChem CID155404865
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
SMILESCc1nc(-c2cnn(C)c2)ncc1C#N
InChIInChI=1S/C10H9N5/c1-7-8(3-11)4-12-10(14-7)9-5-13-15(2)6-9/h4-6H,1-2H3
InChIKeyREHKDXPMEDVBCJ-UHFFFAOYSA-N
XLogP1.06
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 148918889
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206474
4-[(1S,4R)-5-(3-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 150869435
4-[4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155405592
2-(1-methylpyrazol-4-yl)-4-[(1S,4S)-5-(1,3-oxazole-4-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrimidine-5-carbonitrile
CID 155405518
2-(1-methylpyrazol-4-yl)-4-[(1S,4S)-5-(3-pyrrol-1-ylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carbonitrile
CID 155649696
4-[(1S,4S)-5-(cyclobutanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155649693
acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145091106
2-(methylamino)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 62196464
3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
CID 65197742
2-fluoro-5-(1-methylpyrazol-4-yl)benzonitrile
CID 58540875
2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738324

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile (CID 155404865) is 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile is Cc1nc(-c2cnn(C)c2)ncc1C#N.
What is the InChIKey of 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile?
The InChIKey is REHKDXPMEDVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-8(3-11)4-12-10(14-7)9-5-13-15(2)6-9/h4-6H,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile?
4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 155404865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).