2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

C12H20FN5O — CID 80821237

IUPAC2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCCNc1ncc(F)c(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C12H20FN5O/c1-5-14-12-15-6-9(13)11(17-12)18(4)7-10(19)16-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,19)(H,14,15,17)
InChIKeyRMVJUUJNCFIYGH-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.01
Rot. Bonds6

About 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 80821237) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID80821237
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCCNc1ncc(F)c(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C12H20FN5O/c1-5-14-12-15-6-9(13)11(17-12)18(4)7-10(19)16-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,19)(H,14,15,17)
InChIKeyRMVJUUJNCFIYGH-UHFFFAOYSA-N
XLogP1.01
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80805960
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80810772
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 102757357
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
2-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 63077398
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 80821237) is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is CCNc1ncc(F)c(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is RMVJUUJNCFIYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c1-5-14-12-15-6-9(13)11(17-12)18(4)7-10(19)16-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,19)(H,14,15,17).
What are the key properties of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 269.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80821237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).