6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine

C11H13ClN6 — CID 133312969

IUPAC6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NC2CCc3[nH]ncc3C2)n1
InChIInChI=1S/C11H13ClN6/c12-9-4-10(17-11(13)16-9)15-7-1-2-8-6(3-7)5-14-18-8/h4-5,7H,1-3H2,(H,14,18)(H3,13,15,16,17)
InChIKeyBXUWMNWWEOGIDW-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.40
Rot. Bonds2

About 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine

6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 133312969) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine
PubChem CID133312969
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NC2CCc3[nH]ncc3C2)n1
InChIInChI=1S/C11H13ClN6/c12-9-4-10(17-11(13)16-9)15-7-1-2-8-6(3-7)5-14-18-8/h4-5,7H,1-3H2,(H,14,18)(H3,13,15,16,17)
InChIKeyBXUWMNWWEOGIDW-UHFFFAOYSA-N
XLogP1.40
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine (CID 133312969) is 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NC2CCc3[nH]ncc3C2)n1.
What is the InChIKey of 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is BXUWMNWWEOGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c12-9-4-10(17-11(13)16-9)15-7-1-2-8-6(3-7)5-14-18-8/h4-5,7H,1-3H2,(H,14,18)(H3,13,15,16,17).
What are the key properties of 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 264.72 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133312969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).