N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H28N6 — CID 56886822

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCCC45CCCN4CCC5)n2)CCNC3)nc1
InChIInChI=1S/C21H28N6/c1-2-10-23-17(5-1)20-25-18-15-22-11-6-16(18)19(26-20)24-12-9-21-7-3-13-27(21)14-4-8-21/h1-2,5,10,22H,3-4,6-9,11-15H2,(H,24,25,26)
InChIKeyRTDYPLXLLGCZOE-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56886822) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56886822
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCCC45CCCN4CCC5)n2)CCNC3)nc1
InChIInChI=1S/C21H28N6/c1-2-10-23-17(5-1)20-25-18-15-22-11-6-16(18)19(26-20)24-12-9-21-7-3-13-27(21)14-4-8-21/h1-2,5,10,22H,3-4,6-9,11-15H2,(H,24,25,26)
InChIKeyRTDYPLXLLGCZOE-UHFFFAOYSA-N
XLogP2.61
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(oxan-2-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70722134
[1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 56909374
[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95724044
1-[2-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]ethyl]pyrrolidin-2-one
CID 50982829
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 97148580
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56884802
(4aS,8aS)-2-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 56898421
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
2-pyridin-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70753057
N-(1-pyrazin-2-ylpropan-2-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56901267
N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56886822) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1ccc(-c2nc3c(c(NCCC45CCCN4CCC5)n2)CCNC3)nc1.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is RTDYPLXLLGCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-2-10-23-17(5-1)20-25-18-15-22-11-6-16(18)19(26-20)24-12-9-21-7-3-13-27(21)14-4-8-21/h1-2,5,10,22H,3-4,6-9,11-15H2,(H,24,25,26).
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56886822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).