N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C15H20N4O — CID 91330359

IUPACN-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOC1C=CC(N(C)c2nc(C)nc3c2CNC3)=CC1
InChIInChI=1S/C15H20N4O/c1-10-17-14-9-16-8-13(14)15(18-10)19(2)11-4-6-12(20-3)7-5-11/h4-6,12,16H,7-9H2,1-3H3
InChIKeyWGQFCDFMGKZFGS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.68
Rot. Bonds3

About N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 91330359) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID91330359
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOC1C=CC(N(C)c2nc(C)nc3c2CNC3)=CC1
InChIInChI=1S/C15H20N4O/c1-10-17-14-9-16-8-13(14)15(18-10)19(2)11-4-6-12(20-3)7-5-11/h4-6,12,16H,7-9H2,1-3H3
InChIKeyWGQFCDFMGKZFGS-UHFFFAOYSA-N
XLogP1.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145270
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
N-cyclohexyl-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145279
N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
CID 155687907
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83845774
2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83850042
4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
CID 177061372
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 91330359) is N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COC1C=CC(N(C)c2nc(C)nc3c2CNC3)=CC1.
What is the InChIKey of N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WGQFCDFMGKZFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-17-14-9-16-8-13(14)15(18-10)19(2)11-4-6-12(20-3)7-5-11/h4-6,12,16H,7-9H2,1-3H3.
What are the key properties of N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91330359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).