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

C10H15BrN4O2 — CID 116796533

IUPACmethyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1nc(N)cc(Br)n1
InChIInChI=1S/C10H15BrN4O2/c1-3-4-15(6-9(16)17-2)10-13-7(11)5-8(12)14-10/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyIXPCXENXOAKRAH-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.21
Rot. Bonds5

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

methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate (PubChem CID 116796533) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
PubChem CID116796533
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Namemethyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1nc(N)cc(Br)n1
InChIInChI=1S/C10H15BrN4O2/c1-3-4-15(6-9(16)17-2)10-13-7(11)5-8(12)14-10/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyIXPCXENXOAKRAH-UHFFFAOYSA-N
XLogP1.21
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758
methyl 2-[(5-bromo-3-nitro-2-pyridinyl)-propylamino]acetate
CID 62005759
6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 103340783
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate
CID 66331907
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
CID 80647804

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate (CID 116796533) is methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate is CCCN(CC(=O)OC)c1nc(N)cc(Br)n1.
What is the InChIKey of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate?
The InChIKey is IXPCXENXOAKRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-3-4-15(6-9(16)17-2)10-13-7(11)5-8(12)14-10/h5H,3-4,6H2,1-2H3,(H2,12,13,14).
What are the key properties of methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate?
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate has a molecular weight of 303.16 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate is sourced from PubChem (CID 116796533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).