2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide

C12H20BrN5O — CID 80805220

IUPAC2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
SMILESCCCNc1ncc(Br)c(N(C)CC(=O)NCC)n1
InChIInChI=1S/C12H20BrN5O/c1-4-6-15-12-16-7-9(13)11(17-12)18(3)8-10(19)14-5-2/h7H,4-6,8H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyRAWNKXAKUXPAQJ-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.63
Rot. Bonds7

About 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide

2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide (PubChem CID 80805220) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
PubChem CID80805220
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
SMILESCCCNc1ncc(Br)c(N(C)CC(=O)NCC)n1
InChIInChI=1S/C12H20BrN5O/c1-4-6-15-12-16-7-9(13)11(17-12)18(3)8-10(19)14-5-2/h7H,4-6,8H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyRAWNKXAKUXPAQJ-UHFFFAOYSA-N
XLogP1.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994
2-[methyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80779907
2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 105367812
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80788051
N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80786397
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818030
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide (CID 80805220) is 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide is CCCNc1ncc(Br)c(N(C)CC(=O)NCC)n1.
What is the InChIKey of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide?
The InChIKey is RAWNKXAKUXPAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c1-4-6-15-12-16-7-9(13)11(17-12)18(3)8-10(19)14-5-2/h7H,4-6,8H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide?
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide has a molecular weight of 330.23 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 80805220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).