1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide

C12H18FN5O — CID 142072886

IUPAC1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F
InChIInChI=1S/C12H18FN5O/c1-2-15-11-9(13)12(17-7-16-11)18-5-3-4-8(6-18)10(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyNXENWCBDONZZLB-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.75
Rot. Bonds4

About 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide

1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 142072886) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID142072886
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F
InChIInChI=1S/C12H18FN5O/c1-2-15-11-9(13)12(17-7-16-11)18-5-3-4-8(6-18)10(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyNXENWCBDONZZLB-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-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide (CID 142072886) is 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide is CCNc1ncnc(N2CCCC(C(N)=O)C2)c1F.
What is the InChIKey of 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is NXENWCBDONZZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-2-15-11-9(13)12(17-7-16-11)18-5-3-4-8(6-18)10(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
1-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-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-[6-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 142072886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).