5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine

C13H22BrN5 — CID 80819201

IUPAC5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCC(C)N2CCCCC2)n1
InChIInChI=1S/C13H22BrN5/c1-10(19-6-4-3-5-7-19)8-16-12-11(14)9-17-13(15-2)18-12/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyBMLSYGJSYPVZQI-UHFFFAOYSA-N
MW328.26 g/mol
LogP2.57
Rot. Bonds5

About 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine

5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80819201) has the molecular formula C13H22BrN5 and a molecular weight of 328.26 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80819201
Molecular FormulaC13H22BrN5
Molecular Weight328.26 g/mol
Exact Mass327.11
IUPAC Name5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCC(C)N2CCCCC2)n1
InChIInChI=1S/C13H22BrN5/c1-10(19-6-4-3-5-7-19)8-16-12-11(14)9-17-13(15-2)18-12/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyBMLSYGJSYPVZQI-UHFFFAOYSA-N
XLogP2.57
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine 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

3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80792116
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854676
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
3,5-dichloro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899459

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine (CID 80819201) is 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine is CNc1ncc(Br)c(NCC(C)N2CCCCC2)n1.
What is the InChIKey of 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is BMLSYGJSYPVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN5/c1-10(19-6-4-3-5-7-19)8-16-12-11(14)9-17-13(15-2)18-12/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 328.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80819201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).