4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine

C11H9ClN6 — CID 59024384

IUPAC4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3n[nH]c(Cl)c3c2)n1
InChIInChI=1S/C11H9ClN6/c12-10-7-5-6(1-2-8(7)17-18-10)15-9-3-4-14-11(13)16-9/h1-5H,(H,17,18)(H3,13,14,15,16)
InChIKeyQHWJHKNGOCBOAP-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.33
Rot. Bonds2

About 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine

4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 59024384) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine
PubChem CID59024384
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3n[nH]c(Cl)c3c2)n1
InChIInChI=1S/C11H9ClN6/c12-10-7-5-6(1-2-8(7)17-18-10)15-9-3-4-14-11(13)16-9/h1-5H,(H,17,18)(H3,13,14,15,16)
InChIKeyQHWJHKNGOCBOAP-UHFFFAOYSA-N
XLogP2.33
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine (CID 59024384) is 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc3n[nH]c(Cl)c3c2)n1.
What is the InChIKey of 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is QHWJHKNGOCBOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-10-7-5-6(1-2-8(7)17-18-10)15-9-3-4-14-11(13)16-9/h1-5H,(H,17,18)(H3,13,14,15,16).
What are the key properties of 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine?
4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 260.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59024384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).