N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine

C10H16BrN3O — CID 112639376

IUPACN-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(N(C)CCBr)n1
InChIInChI=1S/C10H16BrN3O/c1-3-8-15-9-4-6-12-10(13-9)14(2)7-5-11/h4,6H,3,5,7-8H2,1-2H3
InChIKeySZZHNIIFDVZDTF-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.10
Rot. Bonds6

About N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine

N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine (PubChem CID 112639376) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
PubChem CID112639376
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(N(C)CCBr)n1
InChIInChI=1S/C10H16BrN3O/c1-3-8-15-9-4-6-12-10(13-9)14(2)7-5-11/h4,6H,3,5,7-8H2,1-2H3
InChIKeySZZHNIIFDVZDTF-UHFFFAOYSA-N
XLogP2.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.10
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-methyl-4-propoxypyrimidin-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-(2-bromoethyl)-N-butyl-4-propoxypyrimidin-2-amine
CID 112639369
N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639113
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
CID 115975387
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
CID 107424754
4-propoxypyrimidin-2-amine
CID 79002172
N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine (CID 112639376) is N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine is CCCOc1ccnc(N(C)CCBr)n1.
What is the InChIKey of N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine?
The InChIKey is SZZHNIIFDVZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-8-15-9-4-6-12-10(13-9)14(2)7-5-11/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine?
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.10, 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-methyl-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112639376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).