5-(1,4-dimethylpyrazol-5-yl)pyrimidine

C9H10N4 — CID 169090134

IUPAC5-(1,4-dimethylpyrazol-5-yl)pyrimidine
SMILESCc1cnn(C)c1-c1cncnc1
InChIInChI=1S/C9H10N4/c1-7-3-12-13(2)9(7)8-4-10-6-11-5-8/h3-6H,1-2H3
InChIKeyTWSVNABGAFVUOZ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.19
Rot. Bonds1

About 5-(1,4-dimethylpyrazol-5-yl)pyrimidine

5-(1,4-dimethylpyrazol-5-yl)pyrimidine (PubChem CID 169090134) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-(1,4-dimethylpyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name5-(1,4-dimethylpyrazol-5-yl)pyrimidine
PubChem CID169090134
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-(1,4-dimethylpyrazol-5-yl)pyrimidine
SMILESCc1cnn(C)c1-c1cncnc1
InChIInChI=1S/C9H10N4/c1-7-3-12-13(2)9(7)8-4-10-6-11-5-8/h3-6H,1-2H3
InChIKeyTWSVNABGAFVUOZ-UHFFFAOYSA-N
XLogP1.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dyrk1-IN-1
CID 138454302
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
5,7-Dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 934656
N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 46996104
4-(1H-pyrazol-4-yl)pyrimidine
CID 5073229
3-(3,5-Dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine
CID 5308515
5-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15731448
4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)-2-pyrimidinamine
CID 51034337
2-Chloro-4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)pyrimidine
CID 51034341
2-(4-Methylpyrazol-1-yl)-4,6-diphenylpyrimidine
CID 755243
6-(3,5-Dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 24696216
N-isopropyl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591705

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The IUPAC name of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine (CID 169090134) is 5-(1,4-dimethylpyrazol-5-yl)pyrimidine.
What is the SMILES notation for 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The canonical SMILES for 5-(1,4-dimethylpyrazol-5-yl)pyrimidine is Cc1cnn(C)c1-c1cncnc1.
What is the InChIKey of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The InChIKey is TWSVNABGAFVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-3-12-13(2)9(7)8-4-10-6-11-5-8/h3-6H,1-2H3.
What are the key properties of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
5-(1,4-dimethylpyrazol-5-yl)pyrimidine has a molecular weight of 174.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylpyrazol-5-yl)pyrimidine is sourced from PubChem (CID 169090134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).