1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide

C12H18FN5O — CID 80754583

IUPAC1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18FN5O/c1-2-15-12-16-7-9(13)11(17-12)18-5-3-8(4-6-18)10(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyRKRSYDFDBVYGNN-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.75
Rot. Bonds4

About 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide

1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80754583) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80754583
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18FN5O/c1-2-15-12-16-7-9(13)11(17-12)18-5-3-8(4-6-18)10(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyRKRSYDFDBVYGNN-UHFFFAOYSA-N
XLogP0.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide (CID 80754583) is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide is CCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RKRSYDFDBVYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-2-15-12-16-7-9(13)11(17-12)18-5-3-8(4-6-18)10(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80754583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).