2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C14H16N4O — CID 117101522

IUPAC2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3cccc(C)c3)n1)CNC2
InChIInChI=1S/C14H16N4O/c1-9-4-3-5-10(6-9)16-13-11-7-15-8-12(11)17-14(18-13)19-2/h3-6,15H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyKTKXBGSDICSUGC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.14
Rot. Bonds3

About 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 117101522) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID117101522
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3cccc(C)c3)n1)CNC2
InChIInChI=1S/C14H16N4O/c1-9-4-3-5-10(6-9)16-13-11-7-15-8-12(11)17-14(18-13)19-2/h3-6,15H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyKTKXBGSDICSUGC-UHFFFAOYSA-N
XLogP2.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101502
4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100703
N-(3-chlorophenyl)-2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101814
2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101810
2-[(2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]phenol
CID 117101530
N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101524
2-methoxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102045
N-(3-methylphenyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 160594122
2-chloro-N-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101444
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
N-(3-methoxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101821
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
CID 121014438

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 117101522) is 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COc1nc2c(c(Nc3cccc(C)c3)n1)CNC2.
What is the InChIKey of 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KTKXBGSDICSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-4-3-5-10(6-9)16-13-11-7-15-8-12(11)17-14(18-13)19-2/h3-6,15H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 256.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).