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

C15H25FN6O — CID 142073018

IUPAC1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
SMILESCN(C)CCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F
InChIInChI=1S/C15H25FN6O/c1-21(2)7-4-6-18-14-12(16)15(20-10-19-14)22-8-3-5-11(9-22)13(17)23/h10-11H,3-9H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyAVHZHBLNOTUTBB-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.68
Rot. Bonds7

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

1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 142073018) has the molecular formula C15H25FN6O and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID142073018
Molecular FormulaC15H25FN6O
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Name1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
SMILESCN(C)CCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F
InChIInChI=1S/C15H25FN6O/c1-21(2)7-4-6-18-14-12(16)15(20-10-19-14)22-8-3-5-11(9-22)13(17)23/h10-11H,3-9H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyAVHZHBLNOTUTBB-UHFFFAOYSA-N
XLogP0.68
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide (CID 142073018) is 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide is CN(C)CCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F.
What is the InChIKey of 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is AVHZHBLNOTUTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN6O/c1-21(2)7-4-6-18-14-12(16)15(20-10-19-14)22-8-3-5-11(9-22)13(17)23/h10-11H,3-9H2,1-2H3,(H2,17,23)(H,18,19,20).
What are the key properties of 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide?
1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 142073018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).