2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine

C10H9ClN6 — CID 163719459

IUPAC2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine
SMILESCn1cc(-c2nc(Cl)nc3c2ncn3C)cn1
InChIInChI=1S/C10H9ClN6/c1-16-5-12-8-7(6-3-13-17(2)4-6)14-10(11)15-9(8)16/h3-5H,1-2H3
InChIKeyKQGHYZRLTJASEK-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.42
Rot. Bonds1

About 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine

2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine (PubChem CID 163719459) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine.

Molecular Properties

Compound Name2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine
PubChem CID163719459
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine
SMILESCn1cc(-c2nc(Cl)nc3c2ncn3C)cn1
InChIInChI=1S/C10H9ClN6/c1-16-5-12-8-7(6-3-13-17(2)4-6)14-10(11)15-9(8)16/h3-5H,1-2H3
InChIKeyKQGHYZRLTJASEK-UHFFFAOYSA-N
XLogP1.42
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol
CID 130327596
2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118685344
6-(1-butylbenzimidazol-5-yl)-2-chloro-9-methylpurine
CID 89304381
5,7-dichloro-3-methylimidazo[4,5-b]pyridine
CID 59696154
ethyl 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanoate
CID 87465877
2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine
CID 59293637
2-chloro-N-(1-methylpyrazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 118073689
6-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
CID 97407527
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
6-chloro-3-[(3R,4R)-4-hydroxyoxolan-3-yl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 169054287
[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
CID 121209283
5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one
CID 118426614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine?
The IUPAC name of 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine (CID 163719459) is 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine.
What is the SMILES notation for 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine?
The canonical SMILES for 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine is Cn1cc(-c2nc(Cl)nc3c2ncn3C)cn1.
What is the InChIKey of 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine?
The InChIKey is KQGHYZRLTJASEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-16-5-12-8-7(6-3-13-17(2)4-6)14-10(11)15-9(8)16/h3-5H,1-2H3.
What are the key properties of 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine?
2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine has a molecular weight of 248.68 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-6-(1-methylpyrazol-4-yl)purine is sourced from PubChem (CID 163719459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).