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

C26H25FN6 — CID 95851085

IUPACN-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)c1
InChIInChI=1S/C26H25FN6/c27-21-6-3-7-22(15-21)30-25-16-23(20-9-12-28-13-10-20)31-26(32-25)24-8-1-2-14-33(24)18-19-5-4-11-29-17-19/h3-7,9-13,15-17,24H,1-2,8,14,18H2,(H,30,31,32)/t24-/m1/s1
InChIKeyJIXFOSGEDHHUMR-XMMPIXPASA-N
MW440.53 g/mol
LogP5.54
Rot. Bonds6

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

N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine (PubChem CID 95851085) has the molecular formula C26H25FN6 and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
PubChem CID95851085
Molecular FormulaC26H25FN6
Molecular Weight440.53 g/mol
Exact Mass440.21
IUPAC NameN-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)c1
InChIInChI=1S/C26H25FN6/c27-21-6-3-7-22(15-21)30-25-16-23(20-9-12-28-13-10-20)31-26(32-25)24-8-1-2-14-33(24)18-19-5-4-11-29-17-19/h3-7,9-13,15-17,24H,1-2,8,14,18H2,(H,30,31,32)/t24-/m1/s1
InChIKeyJIXFOSGEDHHUMR-XMMPIXPASA-N
XLogP5.54
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-fluorophenyl)-6-pyridin-4-yl-2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110243877
cyclopentyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568808
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798
1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110240146
N-(3-fluorophenyl)-2-[(2R)-1-(oxan-4-yl)piperidin-2-yl]-6-pyridin-3-ylpyrimidin-4-amine
CID 92568767
1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92585248
1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110240182
2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110240239
[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 110240224
1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92551731
[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92568816

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine (CID 95851085) is N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine is Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
The InChIKey is JIXFOSGEDHHUMR-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25FN6/c27-21-6-3-7-22(15-21)30-25-16-23(20-9-12-28-13-10-20)31-26(32-25)24-8-1-2-14-33(24)18-19-5-4-11-29-17-19/h3-7,9-13,15-17,24H,1-2,8,14,18H2,(H,30,31,32)/t24-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine has a molecular weight of 440.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95851085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).