7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine

C29H29N5O2 — CID 667118

IUPAC7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCN1CCOCC1
InChIInChI=1S/C29H29N5O2/c30-28-26-25(22-8-3-1-4-9-22)27(23-10-5-2-6-11-23)34(20-24-12-7-17-36-24)29(26)31-21-33(28)14-13-32-15-18-35-19-16-32/h1-12,17,21,30H,13-16,18-20H2/b30-28-
InChIKeyRMDVTJJNEFFKLW-HYOGKJQXSA-N
MW479.58 g/mol
LogP4.62
Rot. Bonds7

About 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine

7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 667118) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID667118
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCN1CCOCC1
InChIInChI=1S/C29H29N5O2/c30-28-26-25(22-8-3-1-4-9-22)27(23-10-5-2-6-11-23)34(20-24-12-7-17-36-24)29(26)31-21-33(28)14-13-32-15-18-35-19-16-32/h1-12,17,21,30H,13-16,18-20H2/b30-28-
InChIKeyRMDVTJJNEFFKLW-HYOGKJQXSA-N
XLogP4.62
TPSA72.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[7-(Furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 661878
7-(Furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 1312086
7-(2-furylmethyl)-3-isobutyl-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1312356
3,7-bis(2-furylmethyl)-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1315075
3-benzyl-7-(2-furylmethyl)-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1393517
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol
CID 3784610
6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234823
2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 10592691
2-(7-Furan-2-ylmethyl-4-imino-5,6-diphenyl-4,7-dihydro-pyrrolo[2,3-d]pyrimidin-3-yl)-ethanol
CID 1076022
7-(Furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 2973487
3-butyl-7-(furan-2-ylmethyl)-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 3735790

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (CID 667118) is 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCN1CCOCC1.
What is the InChIKey of 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is RMDVTJJNEFFKLW-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H29N5O2/c30-28-26-25(22-8-3-1-4-9-22)27(23-10-5-2-6-11-23)34(20-24-12-7-17-36-24)29(26)31-21-33(28)14-13-32-15-18-35-19-16-32/h1-12,17,21,30H,13-16,18-20H2/b30-28-.
What are the key properties of 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 479.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 667118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).