5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine

C9H13BrN4O — CID 115685581

IUPAC5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine
SMILESC=C(Br)CNCc1c(N)ncnc1OC
InChIInChI=1S/C9H13BrN4O/c1-6(10)3-12-4-7-8(11)13-5-14-9(7)15-2/h5,12H,1,3-4H2,2H3,(H2,11,13,14)
InChIKeyXOECTTKGFGQZDM-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.07
Rot. Bonds5

About 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine

5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 115685581) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine
PubChem CID115685581
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine
SMILESC=C(Br)CNCc1c(N)ncnc1OC
InChIInChI=1S/C9H13BrN4O/c1-6(10)3-12-4-7-8(11)13-5-14-9(7)15-2/h5,12H,1,3-4H2,2H3,(H2,11,13,14)
InChIKeyXOECTTKGFGQZDM-UHFFFAOYSA-N
XLogP1.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol
CID 103773604
5-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]methyl]-6-methoxypyrimidin-4-amine
CID 97240281
5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine
CID 75515167
4-amino-6-methoxypyrimidin-5-ol
CID 171035604
1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103677
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
CID 60864470
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-3-methylbutan-1-ol
CID 66092673
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
ethyl 2-[(4-amino-6-chloropyrimidin-5-yl)methylamino]acetate
CID 119084884
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
CID 107848836
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
CID 64929900

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine (CID 115685581) is 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine is C=C(Br)CNCc1c(N)ncnc1OC.
What is the InChIKey of 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is XOECTTKGFGQZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-6(10)3-12-4-7-8(11)13-5-14-9(7)15-2/h5,12H,1,3-4H2,2H3,(H2,11,13,14).
What are the key properties of 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine?
5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 273.13 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 115685581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).