3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C5H5ClN6 — CID 18451679

IUPAC3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(Cl)[nH]nc2n1
InChIInChI=1S/C5H5ClN6/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H5,7,8,9,10,11,12)
InChIKeySAIAVLZXXXLJCG-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.17
Rot. Bonds

About 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 18451679) has the molecular formula C5H5ClN6 and a molecular weight of 184.59 g/mol. Its IUPAC name is 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID18451679
Molecular FormulaC5H5ClN6
Molecular Weight184.59 g/mol
Exact Mass184.03
IUPAC Name3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(Cl)[nH]nc2n1
InChIInChI=1S/C5H5ClN6/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H5,7,8,9,10,11,12)
InChIKeySAIAVLZXXXLJCG-UHFFFAOYSA-N
XLogP0.17
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 1519489
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11789625
4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 12066449
4-chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 20795977
6-Amino-3-bromo-4-chloropyrazolo[3,4-D]pyrimidine
CID 51341934
4-chloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 56932112
3,4,6-trichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 92133085
3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
CID 615116
3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 122164349
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 12036561
3-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 54556582

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 18451679) is 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is Nc1nc(N)c2c(Cl)[nH]nc2n1.
What is the InChIKey of 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is SAIAVLZXXXLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN6/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H5,7,8,9,10,11,12).
What are the key properties of 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 184.59 g/mol, XLogP of 0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 18451679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).