2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine

C8H7ClN4 — CID 24901918

IUPAC2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2ccnc(Cl)n2)cn1
InChIInChI=1S/C8H7ClN4/c1-13-5-6(4-11-13)7-2-3-10-8(9)12-7/h2-5H,1H3
InChIKeyCLPHKONKJXAECN-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.53
Rot. Bonds1

About 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine

2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 24901918) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID24901918
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2ccnc(Cl)n2)cn1
InChIInChI=1S/C8H7ClN4/c1-13-5-6(4-11-13)7-2-3-10-8(9)12-7/h2-5H,1H3
InChIKeyCLPHKONKJXAECN-UHFFFAOYSA-N
XLogP1.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopropyl-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-2-pyrimidinamine
CID 10236275
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
5-Methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2295889
2-Chloro-4-phenylpyrimidine
CID 605356
N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539360
Dyrk1-IN-1
CID 138454302
N-Methyl-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 138454303
2-Methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1472842
4-(4-fluorophenyl)-2-(1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 6621349
4-(4-fluorophenyl)-6-phenyl-2-(1H-pyrazol-1-yl)pyrimidine
CID 879111
7-(3-Pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 900944
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine (CID 24901918) is 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2ccnc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is CLPHKONKJXAECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-13-5-6(4-11-13)7-2-3-10-8(9)12-7/h2-5H,1H3.
What are the key properties of 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine?
2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 24901918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).