4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C13H19FN4O — CID 103880109

IUPAC4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCc1ncnc(NC2CCC(C(N)=O)CC2)c1F
InChIInChI=1S/C13H19FN4O/c1-2-10-11(14)13(17-7-16-10)18-9-5-3-8(4-6-9)12(15)19/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyPZXHYDCXJDOXQX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.63
Rot. Bonds4

About 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 103880109) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID103880109
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCc1ncnc(NC2CCC(C(N)=O)CC2)c1F
InChIInChI=1S/C13H19FN4O/c1-2-10-11(14)13(17-7-16-10)18-9-5-3-8(4-6-9)12(15)19/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyPZXHYDCXJDOXQX-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 103880109) is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide is CCc1ncnc(NC2CCC(C(N)=O)CC2)c1F.
What is the InChIKey of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is PZXHYDCXJDOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-10-11(14)13(17-7-16-10)18-9-5-3-8(4-6-9)12(15)19/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 103880109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).