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

C19H19N5O — CID 56898791

IUPACN-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2cccnc2)nc2c1CNC2
InChIInChI=1S/C19H19N5O/c1-25-17-7-3-2-5-13(17)10-22-19-15-11-21-12-16(15)23-18(24-19)14-6-4-8-20-9-14/h2-9,21H,10-12H2,1H3,(H,22,23,24)
InChIKeyHSSFONVCVNGDRB-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.76
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56898791) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56898791
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2cccnc2)nc2c1CNC2
InChIInChI=1S/C19H19N5O/c1-25-17-7-3-2-5-13(17)10-22-19-15-11-21-12-16(15)23-18(24-19)14-6-4-8-20-9-14/h2-9,21H,10-12H2,1H3,(H,22,23,24)
InChIKeyHSSFONVCVNGDRB-UHFFFAOYSA-N
XLogP2.76
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56895167
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56912034
6-[[(2-methoxyphenyl)methylamino]methyl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606982
N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166219815
2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56884833
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
(4-fluorophenyl)-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 7337612
2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95723151
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56898791) is N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COc1ccccc1CNc1nc(-c2cccnc2)nc2c1CNC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HSSFONVCVNGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-25-17-7-3-2-5-13(17)10-22-19-15-11-21-12-16(15)23-18(24-19)14-6-4-8-20-9-14/h2-9,21H,10-12H2,1H3,(H,22,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56898791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).