N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine

C11H16BrN3O — CID 112639352

IUPACN-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(N(CCBr)C2CC2)n1
InChIInChI=1S/C11H16BrN3O/c1-2-16-10-5-7-13-11(14-10)15(8-6-12)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyRKTVHWABNRGYAQ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.24
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine

N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine (PubChem CID 112639352) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
PubChem CID112639352
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(N(CCBr)C2CC2)n1
InChIInChI=1S/C11H16BrN3O/c1-2-16-10-5-7-13-11(14-10)15(8-6-12)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyRKTVHWABNRGYAQ-UHFFFAOYSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-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

4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
4-(aminomethyl)-N-cyclopropyl-N-propylpyrimidin-2-amine
CID 107541562
N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
CID 115975672
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
CID 112634666
N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
CID 80667350
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine (CID 112639352) is N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine is CCOc1ccnc(N(CCBr)C2CC2)n1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine?
The InChIKey is RKTVHWABNRGYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-16-10-5-7-13-11(14-10)15(8-6-12)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine?
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).