2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide

C12H19FN4O — CID 84591133

IUPAC2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)c1ncc(F)cn1
InChIInChI=1S/C12H19FN4O/c1-3-5-14-11(18)9-17(6-4-2)12-15-7-10(13)8-16-12/h7-8H,3-6,9H2,1-2H3,(H,14,18)
InChIKeyBUNWPZFIKGSGIY-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.36
Rot. Bonds7

About 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide

2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide (PubChem CID 84591133) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide
PubChem CID84591133
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)c1ncc(F)cn1
InChIInChI=1S/C12H19FN4O/c1-3-5-14-11(18)9-17(6-4-2)12-15-7-10(13)8-16-12/h7-8H,3-6,9H2,1-2H3,(H,14,18)
InChIKeyBUNWPZFIKGSGIY-UHFFFAOYSA-N
XLogP1.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
n-(Tert-butyl)-2-(pyrimidin-2-ylamino)acetamide
CID 28134358
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
N-(2-(((4-(dimethylamino)pyrimidin-2-yl)methyl)amino)-2-oxoethyl)butyramide
CID 73168024
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 75370271
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 110257754
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
1-(5-Iodopyrimidin-2-yl)-1,4-diazepan-5-one
CID 104843537
1-(Pyrimidin-2-yl)piperazin-2-one dihydrochloride
CID 138991842

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide (CID 84591133) is 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)c1ncc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide?
The InChIKey is BUNWPZFIKGSGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-5-14-11(18)9-17(6-4-2)12-15-7-10(13)8-16-12/h7-8H,3-6,9H2,1-2H3,(H,14,18).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide?
2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide has a molecular weight of 254.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide is sourced from PubChem (CID 84591133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).