N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine

C14H14ClN5 — CID 58936383

IUPACN-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine
SMILESCc1cc2c(C)n(C)nc2cc1Nc1ccnc(Cl)n1
InChIInChI=1S/C14H14ClN5/c1-8-6-10-9(2)20(3)19-12(10)7-11(8)17-13-4-5-16-14(15)18-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyUBZINEQJVBYTAP-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.38
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine

N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine (PubChem CID 58936383) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine
PubChem CID58936383
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine
SMILESCc1cc2c(C)n(C)nc2cc1Nc1ccnc(Cl)n1
InChIInChI=1S/C14H14ClN5/c1-8-6-10-9(2)20(3)19-12(10)7-11(8)17-13-4-5-16-14(15)18-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyUBZINEQJVBYTAP-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine (CID 58936383) is N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine is Cc1cc2c(C)n(C)nc2cc1Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine?
The InChIKey is UBZINEQJVBYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-8-6-10-9(2)20(3)19-12(10)7-11(8)17-13-4-5-16-14(15)18-13/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine?
N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine has a molecular weight of 287.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine is sourced from PubChem (CID 58936383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).