5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine

C25H28FN5O — CID 90757125

IUPAC5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3ccn(CCCN(C)C)c23)ccc1OCc1cccc(F)c1
InChIInChI=1S/C25H28FN5O/c1-18-14-21(8-9-23(18)32-16-19-6-4-7-20(26)15-19)29-25-24-22(27-17-28-25)10-13-31(24)12-5-11-30(2)3/h4,6-10,13-15,17H,5,11-12,16H2,1-3H3,(H,27,28,29)
InChIKeyDQMSNHQINDBMGK-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.15
Rot. Bonds9

About 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine

5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 90757125) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID90757125
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3ccn(CCCN(C)C)c23)ccc1OCc1cccc(F)c1
InChIInChI=1S/C25H28FN5O/c1-18-14-21(8-9-23(18)32-16-19-6-4-7-20(26)15-19)29-25-24-22(27-17-28-25)10-13-31(24)12-5-11-30(2)3/h4,6-10,13-15,17H,5,11-12,16H2,1-3H3,(H,27,28,29)
InChIKeyDQMSNHQINDBMGK-UHFFFAOYSA-N
XLogP5.15
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-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

2-[4-[2-chloro-3-[(3-fluorophenyl)methoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 90004837
6-(3-aminophenyl)-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 69087263
2-[2-[4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy]ethanol
CID 59453268
3-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 67020626
N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide
CID 143748772
5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
CID 143805213
(E)-4-(dimethylamino)-2-fluoro-N-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]-7-methoxyquinazolin-6-yl]-3-methylbut-2-enamide
CID 163793338
6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
CID 71072748
5-(2-aminoethyl)-N-[3-methyl-4-[3-(1,1,2,2-tetrafluoroethoxy)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine;dihydrochloride
CID 86644843
N-[4-chloro-5-[(3-fluorophenyl)methoxy]cyclohepta-1,4,6-trien-1-yl]-5-(2-fluoroethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 143966068
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(ethylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143077851
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine (CID 90757125) is 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3ccn(CCCN(C)C)c23)ccc1OCc1cccc(F)c1.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is DQMSNHQINDBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-18-14-21(8-9-23(18)32-16-19-6-4-7-20(26)15-19)29-25-24-22(27-17-28-25)10-13-31(24)12-5-11-30(2)3/h4,6-10,13-15,17H,5,11-12,16H2,1-3H3,(H,27,28,29).
What are the key properties of 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine?
5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 433.53 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90757125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).