5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine

C11H17BrN4O — CID 68720220

IUPAC5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCC(CNc1ncc(Br)cn1)N1CCOCC1
InChIInChI=1S/C11H17BrN4O/c1-9(16-2-4-17-5-3-16)6-13-11-14-7-10(12)8-15-11/h7-9H,2-6H2,1H3,(H,13,14,15)
InChIKeyPIZWMPGXBRGQRT-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.37
Rot. Bonds4

About 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine

5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 68720220) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID68720220
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCC(CNc1ncc(Br)cn1)N1CCOCC1
InChIInChI=1S/C11H17BrN4O/c1-9(16-2-4-17-5-3-16)6-13-11-14-7-10(12)8-15-11/h7-9H,2-6H2,1H3,(H,13,14,15)
InChIKeyPIZWMPGXBRGQRT-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-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

N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 135042570
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 66106214
5-ethyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 72870325
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-methyl-N-(2-morpholin-4-ylpropyl)butan-2-amine
CID 62556601
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide
CID 55884860
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 68720220) is 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine is CC(CNc1ncc(Br)cn1)N1CCOCC1.
What is the InChIKey of 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is PIZWMPGXBRGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-9(16-2-4-17-5-3-16)6-13-11-14-7-10(12)8-15-11/h7-9H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine?
5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 68720220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).