N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C22H24N6 — CID 56888595

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCCN2CCNc1nc(-c2ccncc2)nc2c1CNC2
InChIInChI=1S/C22H24N6/c1-2-6-20-16(4-1)5-3-12-28(20)13-11-25-22-18-14-24-15-19(18)26-21(27-22)17-7-9-23-10-8-17/h1-2,4,6-10,24H,3,5,11-15H2,(H,25,26,27)
InChIKeyVJPWTUDBFFDUIQ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56888595) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56888595
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCCN2CCNc1nc(-c2ccncc2)nc2c1CNC2
InChIInChI=1S/C22H24N6/c1-2-6-20-16(4-1)5-3-12-28(20)13-11-25-22-18-14-24-15-19(18)26-21(27-22)17-7-9-23-10-8-17/h1-2,4,6-10,24H,3,5,11-15H2,(H,25,26,27)
InChIKeyVJPWTUDBFFDUIQ-UHFFFAOYSA-N
XLogP3.01
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644
N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56904560
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136965752
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56911501
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
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-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 47381708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56888595) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is c1ccc2c(c1)CCCN2CCNc1nc(-c2ccncc2)nc2c1CNC2.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VJPWTUDBFFDUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-2-6-20-16(4-1)5-3-12-28(20)13-11-25-22-18-14-24-15-19(18)26-21(27-22)17-7-9-23-10-8-17/h1-2,4,6-10,24H,3,5,11-15H2,(H,25,26,27).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 372.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56888595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).