5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine

C21H22FN5O — CID 90314415

IUPAC5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3OC3CCC(N)CC3)cc2F)cn1
InChIInChI=1S/C21H22FN5O/c22-19-10-13(3-8-17(19)14-11-26-21(24)27-12-14)18-2-1-9-25-20(18)28-16-6-4-15(23)5-7-16/h1-3,8-12,15-16H,4-7,23H2,(H2,24,26,27)
InChIKeyNAHAWLGCGCLSOD-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.58
Rot. Bonds4

About 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine

5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90314415) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90314415
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3OC3CCC(N)CC3)cc2F)cn1
InChIInChI=1S/C21H22FN5O/c22-19-10-13(3-8-17(19)14-11-26-21(24)27-12-14)18-2-1-9-25-20(18)28-16-6-4-15(23)5-7-16/h1-3,8-12,15-16H,4-7,23H2,(H2,24,26,27)
InChIKeyNAHAWLGCGCLSOD-UHFFFAOYSA-N
XLogP3.58
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine (CID 90314415) is 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3cccnc3OC3CCC(N)CC3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is NAHAWLGCGCLSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-19-10-13(3-8-17(19)14-11-26-21(24)27-12-14)18-2-1-9-25-20(18)28-16-6-4-15(23)5-7-16/h1-3,8-12,15-16H,4-7,23H2,(H2,24,26,27).
What are the key properties of 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine?
5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 379.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-aminocyclohexyl)oxy-3-pyridinyl]-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90314415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).