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

C22H25N5O — CID 56912034

IUPACN-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCCCOc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2c1CNC2
InChIInChI=1S/C22H25N5O/c1-3-11-28-20-9-5-4-8-17(20)15(2)25-22-18-13-24-14-19(18)26-21(27-22)16-7-6-10-23-12-16/h4-10,12,15,24H,3,11,13-14H2,1-2H3,(H,25,26,27)
InChIKeyNKWAEIORTQCYGP-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.10
Rot. Bonds7

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

N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56912034) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56912034
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCCCOc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2c1CNC2
InChIInChI=1S/C22H25N5O/c1-3-11-28-20-9-5-4-8-17(20)15(2)25-22-18-13-24-14-19(18)26-21(27-22)16-7-6-10-23-12-16/h4-10,12,15,24H,3,11,13-14H2,1-2H3,(H,25,26,27)
InChIKeyNKWAEIORTQCYGP-UHFFFAOYSA-N
XLogP4.10
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95720129
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56911793
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56898791
2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95723151
N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95221672
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229619
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229618
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56880327
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56882046
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56884833
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56912034) is N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CCCOc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2c1CNC2.
What is the InChIKey of N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NKWAEIORTQCYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-11-28-20-9-5-4-8-17(20)15(2)25-22-18-13-24-14-19(18)26-21(27-22)16-7-6-10-23-12-16/h4-10,12,15,24H,3,11,13-14H2,1-2H3,(H,25,26,27).
What are the key properties of N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56912034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).