4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine

C13H15ClN4 — CID 107925460

IUPAC4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(C3CC3(C)C)n2)cn1
InChIInChI=1S/C13H15ClN4/c1-13(2)5-9(13)12-16-10(4-11(14)17-12)8-6-15-18(3)7-8/h4,6-7,9H,5H2,1-3H3
InChIKeyXZEBXARHIGVIGP-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.04
Rot. Bonds2

About 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine

4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 107925460) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID107925460
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(C3CC3(C)C)n2)cn1
InChIInChI=1S/C13H15ClN4/c1-13(2)5-9(13)12-16-10(4-11(14)17-12)8-6-15-18(3)7-8/h4,6-7,9H,5H2,1-3H3
InChIKeyXZEBXARHIGVIGP-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
4-chloro-2-(1,4-dithian-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715373
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106886214
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
4-chloro-2-(cyclopentylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 107925460) is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cc(Cl)nc(C3CC3(C)C)n2)cn1.
What is the InChIKey of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is XZEBXARHIGVIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-13(2)5-9(13)12-16-10(4-11(14)17-12)8-6-15-18(3)7-8/h4,6-7,9H,5H2,1-3H3.
What are the key properties of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 107925460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).