N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine

C25H28FN5O — CID 92568767

IUPACN-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3C3CCOCC3)n2)c1
InChIInChI=1S/C25H28FN5O/c26-19-6-3-7-20(15-19)28-24-16-22(18-5-4-11-27-17-18)29-25(30-24)23-8-1-2-12-31(23)21-9-13-32-14-10-21/h3-7,11,15-17,21,23H,1-2,8-10,12-14H2,(H,28,29,30)/t23-/m1/s1
InChIKeyGGTHTNFTQHJAJC-HSZRJFAPSA-N
MW433.53 g/mol
LogP5.13
Rot. Bonds5

About N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine

N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 92568767) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID92568767
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC NameN-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3C3CCOCC3)n2)c1
InChIInChI=1S/C25H28FN5O/c26-19-6-3-7-20(15-19)28-24-16-22(18-5-4-11-27-17-18)29-25(30-24)23-8-1-2-12-31(23)21-9-13-32-14-10-21/h3-7,11,15-17,21,23H,1-2,8-10,12-14H2,(H,28,29,30)/t23-/m1/s1
InChIKeyGGTHTNFTQHJAJC-HSZRJFAPSA-N
XLogP5.13
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine (CID 92568767) is N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine is Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3C3CCOCC3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is GGTHTNFTQHJAJC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28FN5O/c26-19-6-3-7-20(15-19)28-24-16-22(18-5-4-11-27-17-18)29-25(30-24)23-8-1-2-12-31(23)21-9-13-32-14-10-21/h3-7,11,15-17,21,23H,1-2,8-10,12-14H2,(H,28,29,30)/t23-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine?
N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 433.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 92568767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).