2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide

C12H20FN5O — CID 80779606

IUPAC2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCCCNc1ncc(F)c(N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C12H20FN5O/c1-5-6-14-12-15-7-9(13)11(16-12)18(4)8-10(19)17(2)3/h7H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyBFFUKKLEPATQOJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.96
Rot. Bonds6

About 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 80779606) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID80779606
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCCCNc1ncc(F)c(N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C12H20FN5O/c1-5-6-14-12-15-7-9(13)11(16-12)18(4)8-10(19)17(2)3/h7H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyBFFUKKLEPATQOJ-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80805960
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
2-[methyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80779907
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide (CID 80779606) is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide is CCCNc1ncc(F)c(N(C)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is BFFUKKLEPATQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c1-5-6-14-12-15-7-9(13)11(16-12)18(4)8-10(19)17(2)3/h7H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 269.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80779606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).