7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C19H24FN5 — CID 4902140

IUPAC7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C19H24FN5/c1-13-14(2)25(11-5-10-24(3)4)19-17(13)18(21-12-22-19)23-16-8-6-15(20)7-9-16/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,23)
InChIKeyKGIZGIGBFBFYNV-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.88
Rot. Bonds6

About 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4902140) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4902140
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C19H24FN5/c1-13-14(2)25(11-5-10-24(3)4)19-17(13)18(21-12-22-19)23-16-8-6-15(20)7-9-16/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,23)
InChIKeyKGIZGIGBFBFYNV-UHFFFAOYSA-N
XLogP3.88
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

Imiquimod
CID 57469
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
Antalarmin
CID 177990
Rolodine
CID 5359646
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
Cruzain-IN-1
CID 44143088
CP-154526
CID 5311055
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4902140) is 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccc(F)cc3)c12.
What is the InChIKey of 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KGIZGIGBFBFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c1-13-14(2)25(11-5-10-24(3)4)19-17(13)18(21-12-22-19)23-16-8-6-15(20)7-9-16/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,23).
What are the key properties of 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 341.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4902140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).