2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

C21H19N7 — CID 123451488

IUPAC2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(NCc2ccc3[nH]ccc3c2)nc(NCc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C21H19N7/c1-3-17-13-26-28-19(17)10-15(1)12-25-21-23-8-6-20(27-21)24-11-14-2-4-18-16(9-14)5-7-22-18/h1-10,13,22H,11-12H2,(H,26,28)(H2,23,24,25,27)
InChIKeyRSPZMNUNQIGGOR-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.06
Rot. Bonds6

About 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 123451488) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID123451488
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(NCc2ccc3[nH]ccc3c2)nc(NCc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C21H19N7/c1-3-17-13-26-28-19(17)10-15(1)12-25-21-23-8-6-20(27-21)24-11-14-2-4-18-16(9-14)5-7-22-18/h1-10,13,22H,11-12H2,(H,26,28)(H2,23,24,25,27)
InChIKeyRSPZMNUNQIGGOR-UHFFFAOYSA-N
XLogP4.06
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (CID 123451488) is 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is c1cc(NCc2ccc3[nH]ccc3c2)nc(NCc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is RSPZMNUNQIGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-3-17-13-26-28-19(17)10-15(1)12-25-21-23-8-6-20(27-21)24-11-14-2-4-18-16(9-14)5-7-22-18/h1-10,13,22H,11-12H2,(H,26,28)(H2,23,24,25,27).
What are the key properties of 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 369.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123451488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).