4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine

C11H11ClN4 — CID 170775892

IUPAC4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine
SMILESClc1nc(C2CC2)nc2c1cnn2C1CC1
InChIInChI=1S/C11H11ClN4/c12-9-8-5-13-16(7-3-4-7)11(8)15-10(14-9)6-1-2-6/h5-7H,1-4H2
InChIKeyOSYHLPOFIPIHOS-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine

4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine (PubChem CID 170775892) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine
PubChem CID170775892
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine
SMILESClc1nc(C2CC2)nc2c1cnn2C1CC1
InChIInChI=1S/C11H11ClN4/c12-9-8-5-13-16(7-3-4-7)11(8)15-10(14-9)6-1-2-6/h5-7H,1-4H2
InChIKeyOSYHLPOFIPIHOS-UHFFFAOYSA-N
XLogP2.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)-1-methoxycyclohexane-1-carboxylate
CID 168853533
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
3-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)thiolane 1,1-dioxide
CID 43154808
6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
CID 89449448
1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80725542
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine
CID 175891792
6,8-dibromo-4-chloro-2-cyclopropylquinazoline
CID 106584417
5-bromo-4-chloro-1-cyclopropylindazole
CID 164860942
4-chloro-2-cyclopropylquinazolin-6-ol
CID 106584464
3-(4,6-dichloro-5-methylpyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 112680582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine (CID 170775892) is 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine is Clc1nc(C2CC2)nc2c1cnn2C1CC1.
What is the InChIKey of 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine?
The InChIKey is OSYHLPOFIPIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-9-8-5-13-16(7-3-4-7)11(8)15-10(14-9)6-1-2-6/h5-7H,1-4H2.
What are the key properties of 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine?
4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 170775892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).