4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol

C13H12FN3O — CID 136927531

IUPAC4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
SMILESNc1nc(-c2ccc(O)c(F)c2)nc2c1CCC2
InChIInChI=1S/C13H12FN3O/c14-9-6-7(4-5-11(9)18)13-16-10-3-1-2-8(10)12(15)17-13/h4-6,18H,1-3H2,(H2,15,16,17)
InChIKeyKFADJHXKBNTBEN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.06
Rot. Bonds1

About 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol

4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol (PubChem CID 136927531) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
PubChem CID136927531
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
SMILESNc1nc(-c2ccc(O)c(F)c2)nc2c1CCC2
InChIInChI=1S/C13H12FN3O/c14-9-6-7(4-5-11(9)18)13-16-10-3-1-2-8(10)12(15)17-13/h4-6,18H,1-3H2,(H2,15,16,17)
InChIKeyKFADJHXKBNTBEN-UHFFFAOYSA-N
XLogP2.06
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol
CID 136813848
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 136813750
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
CID 136813751
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-(2-methylquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105379360
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
2-(4-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79979881
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203690
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107105157
2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79979959

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol?
The IUPAC name of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol (CID 136927531) is 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol?
The canonical SMILES for 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol is Nc1nc(-c2ccc(O)c(F)c2)nc2c1CCC2.
What is the InChIKey of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol?
The InChIKey is KFADJHXKBNTBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-9-6-7(4-5-11(9)18)13-16-10-3-1-2-8(10)12(15)17-13/h4-6,18H,1-3H2,(H2,15,16,17).
What are the key properties of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol?
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol has a molecular weight of 245.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol is sourced from PubChem (CID 136927531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).