5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine

C12H20BrN3O — CID 113391676

IUPAC5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC(C)OC)nc(C)c1Br
InChIInChI=1S/C12H20BrN3O/c1-5-6-14-12-11(13)9(3)15-10(16-12)7-8(2)17-4/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyZUPNRTRHVZAJGI-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.95
Rot. Bonds6

About 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 113391676) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID113391676
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC(C)OC)nc(C)c1Br
InChIInChI=1S/C12H20BrN3O/c1-5-6-14-12-11(13)9(3)15-10(16-12)7-8(2)17-4/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyZUPNRTRHVZAJGI-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-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

5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66304693
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine (CID 113391676) is 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(CC(C)OC)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ZUPNRTRHVZAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-5-6-14-12-11(13)9(3)15-10(16-12)7-8(2)17-4/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 302.22 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 113391676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).