methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate

C10H13BrN4O4 — CID 116796876

IUPACmethyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nc(N)cc(Br)n1
InChIInChI=1S/C10H13BrN4O4/c1-18-8(16)4-15(5-9(17)19-2)10-13-6(11)3-7(12)14-10/h3H,4-5H2,1-2H3,(H2,12,13,14)
InChIKeyRNQSNYMPZROZGE-UHFFFAOYSA-N
MW333.14 g/mol
LogP-0.03
Rot. Bonds5

About methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 116796876) has the molecular formula C10H13BrN4O4 and a molecular weight of 333.14 g/mol. Its IUPAC name is methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID116796876
Molecular FormulaC10H13BrN4O4
Molecular Weight333.14 g/mol
Exact Mass332.01
IUPAC Namemethyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nc(N)cc(Br)n1
InChIInChI=1S/C10H13BrN4O4/c1-18-8(16)4-15(5-9(17)19-2)10-13-6(11)3-7(12)14-10/h3H,4-5H2,1-2H3,(H2,12,13,14)
InChIKeyRNQSNYMPZROZGE-UHFFFAOYSA-N
XLogP-0.03
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 103340783
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
CID 80647804
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103204961
methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
CID 131213825
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate
CID 172560477
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 116796876) is methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1nc(N)cc(Br)n1.
What is the InChIKey of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is RNQSNYMPZROZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O4/c1-18-8(16)4-15(5-9(17)19-2)10-13-6(11)3-7(12)14-10/h3H,4-5H2,1-2H3,(H2,12,13,14).
What are the key properties of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 333.14 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 116796876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).