5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

C20H25FN8O2 — CID 170394752

IUPAC5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCc1nc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)ncc1F
InChIInChI=1S/C20H25FN8O2/c1-13-16(21)11-22-19(25-13)26-14-2-4-15(5-3-14)31-20-27-18(28-6-8-30-9-7-28)10-17-23-12-24-29(17)20/h10-12,14-15H,2-9H2,1H3,(H,22,25,26)
InChIKeyLVRXYKSAOMRREK-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.00
Rot. Bonds5

About 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170394752) has the molecular formula C20H25FN8O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
PubChem CID170394752
Molecular FormulaC20H25FN8O2
Molecular Weight428.47 g/mol
Exact Mass428.21
IUPAC Name5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCc1nc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)ncc1F
InChIInChI=1S/C20H25FN8O2/c1-13-16(21)11-22-19(25-13)26-14-2-4-15(5-3-14)31-20-27-18(28-6-8-30-9-7-28)10-17-23-12-24-29(17)20/h10-12,14-15H,2-9H2,1H3,(H,22,25,26)
InChIKeyLVRXYKSAOMRREK-UHFFFAOYSA-N
XLogP2.00
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170394752) is 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is Cc1nc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The InChIKey is LVRXYKSAOMRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN8O2/c1-13-16(21)11-22-19(25-13)26-14-2-4-15(5-3-14)31-20-27-18(28-6-8-30-9-7-28)10-17-23-12-24-29(17)20/h10-12,14-15H,2-9H2,1H3,(H,22,25,26).
What are the key properties of 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine has a molecular weight of 428.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 170394752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).