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

C14H14FN3O — CID 107922821

IUPAC2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1cc(-c2nc(N)c3c(n2)CCC3)ccc1F
InChIInChI=1S/C14H14FN3O/c1-19-12-7-8(5-6-10(12)15)14-17-11-4-2-3-9(11)13(16)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18)
InChIKeyYGHOIJWKWOXIPC-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.36
Rot. Bonds2

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

2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 107922821) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID107922821
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1cc(-c2nc(N)c3c(n2)CCC3)ccc1F
InChIInChI=1S/C14H14FN3O/c1-19-12-7-8(5-6-10(12)15)14-17-11-4-2-3-9(11)13(16)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18)
InChIKeyYGHOIJWKWOXIPC-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 107922821) is 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1cc(-c2nc(N)c3c(n2)CCC3)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YGHOIJWKWOXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-19-12-7-8(5-6-10(12)15)14-17-11-4-2-3-9(11)13(16)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 259.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 107922821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).