N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

C26H28N10 — CID 118031476

IUPACN-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESc1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)nc1
InChIInChI=1S/C26H28N10/c1-2-7-28-22(3-1)13-19-15-29-25(30-16-19)35-9-11-36(12-10-35)26-32-18-31-24(34-26)33-23-5-4-20-6-8-27-17-21(20)14-23/h1-5,7,14-16,18,27H,6,8-13,17H2,(H,31,32,33,34)
InChIKeyKWMWGKVDHSGGEO-UHFFFAOYSA-N
MW480.58 g/mol
LogP2.36
Rot. Bonds6

About N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 118031476) has the molecular formula C26H28N10 and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound NameN-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID118031476
Molecular FormulaC26H28N10
Molecular Weight480.58 g/mol
Exact Mass480.25
IUPAC NameN-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESc1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)nc1
InChIInChI=1S/C26H28N10/c1-2-7-28-22(3-1)13-19-15-29-25(30-16-19)35-9-11-36(12-10-35)26-32-18-31-24(34-26)33-23-5-4-20-6-8-27-17-21(20)14-23/h1-5,7,14-16,18,27H,6,8-13,17H2,(H,31,32,33,34)
InChIKeyKWMWGKVDHSGGEO-UHFFFAOYSA-N
XLogP2.36
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 118031476) is N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)nc1.
What is the InChIKey of N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is KWMWGKVDHSGGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N10/c1-2-7-28-22(3-1)13-19-15-29-25(30-16-19)35-9-11-36(12-10-35)26-32-18-31-24(34-26)33-23-5-4-20-6-8-27-17-21(20)14-23/h1-5,7,14-16,18,27H,6,8-13,17H2,(H,31,32,33,34).
What are the key properties of N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 480.58 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 118031476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).