2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone

C13H20BrN5O — CID 80799994

IUPAC2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCNc1ncc(Br)c(N(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H20BrN5O/c1-3-15-13-16-8-10(14)12(17-13)18(2)9-11(20)19-6-4-5-7-19/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyRLUHKAQEKUSTDR-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.73
Rot. Bonds5

About 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 80799994) has the molecular formula C13H20BrN5O and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID80799994
Molecular FormulaC13H20BrN5O
Molecular Weight342.24 g/mol
Exact Mass341.09
IUPAC Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCNc1ncc(Br)c(N(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H20BrN5O/c1-3-15-13-16-8-10(14)12(17-13)18(2)9-11(20)19-6-4-5-7-19/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyRLUHKAQEKUSTDR-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756697
5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80847973
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 137341603
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799693
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80781899
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone (CID 80799994) is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone is CCNc1ncc(Br)c(N(C)CC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is RLUHKAQEKUSTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O/c1-3-15-13-16-8-10(14)12(17-13)18(2)9-11(20)19-6-4-5-7-19/h8H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 342.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 80799994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).