2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H13F2N3 — CID 118240606

IUPAC2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1cccc(CNc2nc(F)nc3c2CCC3)c1
InChIInChI=1S/C14H13F2N3/c15-10-4-1-3-9(7-10)8-17-13-11-5-2-6-12(11)18-14(16)19-13/h1,3-4,7H,2,5-6,8H2,(H,17,18,19)
InChIKeyRZBCZDBXWZUVOF-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.86
Rot. Bonds3

About 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 118240606) has the molecular formula C14H13F2N3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID118240606
Molecular FormulaC14H13F2N3
Molecular Weight261.27 g/mol
Exact Mass261.11
IUPAC Name2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1cccc(CNc2nc(F)nc3c2CCC3)c1
InChIInChI=1S/C14H13F2N3/c15-10-4-1-3-9(7-10)8-17-13-11-5-2-6-12(11)18-14(16)19-13/h1,3-4,7H,2,5-6,8H2,(H,17,18,19)
InChIKeyRZBCZDBXWZUVOF-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
[1-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]indazol-4-yl]boronic acid
CID 145205676
[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol
CID 155657520
3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240215
methyl 2-[3-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenoxy]acetate
CID 133460829
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
2-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62079667
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 118240606) is 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Fc1cccc(CNc2nc(F)nc3c2CCC3)c1.
What is the InChIKey of 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is RZBCZDBXWZUVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3/c15-10-4-1-3-9(7-10)8-17-13-11-5-2-6-12(11)18-14(16)19-13/h1,3-4,7H,2,5-6,8H2,(H,17,18,19).
What are the key properties of 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 261.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 118240606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).