7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C18H22FN5 — CID 154512653

IUPAC7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCNC1CCN(c2nc(N)nc3c2CCC3c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN5/c1-21-13-8-9-24(10-13)17-15-7-6-14(16(15)22-18(20)23-17)11-2-4-12(19)5-3-11/h2-5,13-14,21H,6-10H2,1H3,(H2,20,22,23)
InChIKeyXFKLALUWOWRIHR-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.07
Rot. Bonds3

About 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 154512653) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID154512653
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC Name7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCNC1CCN(c2nc(N)nc3c2CCC3c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN5/c1-21-13-8-9-24(10-13)17-15-7-6-14(16(15)22-18(20)23-17)11-2-4-12(19)5-3-11/h2-5,13-14,21H,6-10H2,1H3,(H2,20,22,23)
InChIKeyXFKLALUWOWRIHR-UHFFFAOYSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine with MolForge

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Related Compounds

N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945
14-Fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25128824
9-phenyl-4-(piperazin-1-yl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine
CID 25129169
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
(1S,2R,5S)-5-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
CID 15949418
(1S,2R,5S)-5-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 15949508
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 44592966

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 154512653) is 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is CNC1CCN(c2nc(N)nc3c2CCC3c2ccc(F)cc2)C1.
What is the InChIKey of 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is XFKLALUWOWRIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5/c1-21-13-8-9-24(10-13)17-15-7-6-14(16(15)22-18(20)23-17)11-2-4-12(19)5-3-11/h2-5,13-14,21H,6-10H2,1H3,(H2,20,22,23).
What are the key properties of 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 327.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 154512653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).