6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C8H7Cl2N5 — CID 106195516

IUPAC6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC=C(Cl)CNc1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C8H7Cl2N5/c1-4(9)2-11-6-5-3-12-15-7(5)14-8(10)13-6/h3H,1-2H2,(H2,11,12,13,14,15)
InChIKeyLMBRQIHNUMCHOZ-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.17
Rot. Bonds3

About 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 106195516) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.08 g/mol. Its IUPAC name is 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID106195516
Molecular FormulaC8H7Cl2N5
Molecular Weight244.08 g/mol
Exact Mass243.01
IUPAC Name6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC=C(Cl)CNc1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C8H7Cl2N5/c1-4(9)2-11-6-5-3-12-15-7(5)14-8(10)13-6/h3H,1-2H2,(H2,11,12,13,14,15)
InChIKeyLMBRQIHNUMCHOZ-UHFFFAOYSA-N
XLogP2.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 106195516) is 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is C=C(Cl)CNc1nc(Cl)nc2[nH]ncc12.
What is the InChIKey of 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LMBRQIHNUMCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c1-4(9)2-11-6-5-3-12-15-7(5)14-8(10)13-6/h3H,1-2H2,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 244.08 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 106195516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).