6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C9H10ClN5 — CID 82460053

IUPAC6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CC3)nc(Cl)nc21
InChIInChI=1S/C9H10ClN5/c1-15-8-6(4-11-15)7(12-5-2-3-5)13-9(10)14-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyCHPWLDKTQFQTQP-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.59
Rot. Bonds2

About 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82460053) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82460053
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CC3)nc(Cl)nc21
InChIInChI=1S/C9H10ClN5/c1-15-8-6(4-11-15)7(12-5-2-3-5)13-9(10)14-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyCHPWLDKTQFQTQP-UHFFFAOYSA-N
XLogP1.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-hexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460054
6-chloro-N-cyclohexyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118518117
[(3aR,4R,6R,6aR)-4-[6-chloro-4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 171158878
6-chloro-N-cyclopentyl-1-[5-(methylaminomethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142587059
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58345954
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8546599
N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8546583
6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 89181683
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
CID 56912897
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27368996
N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 60710802

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 82460053) is 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC3CC3)nc(Cl)nc21.
What is the InChIKey of 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CHPWLDKTQFQTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-8-6(4-11-15)7(12-5-2-3-5)13-9(10)14-8/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82460053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).