N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine

C15H24BrN3 — CID 80677181

IUPACN-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N(CCBr)C2CCCCC2)ncn1
InChIInChI=1S/C15H24BrN3/c1-12(2)14-10-15(18-11-17-14)19(9-8-16)13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3
InChIKeyZQQSDELZJTXMTR-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.13
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine

N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 80677181) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID80677181
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N(CCBr)C2CCCCC2)ncn1
InChIInChI=1S/C15H24BrN3/c1-12(2)14-10-15(18-11-17-14)19(9-8-16)13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3
InChIKeyZQQSDELZJTXMTR-UHFFFAOYSA-N
XLogP4.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 55184049
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 63761565
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240927
N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine
CID 102871599
3-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanethioamide
CID 54997397
N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine
CID 80666920
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
N'-cyclopentyl-N'-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66332218
N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine
CID 115417192
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805
6-chloro-N-cyclohexyl-N-ethylpyrimidin-4-amine
CID 53410294

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine (CID 80677181) is N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N(CCBr)C2CCCCC2)ncn1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZQQSDELZJTXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)14-10-15(18-11-17-14)19(9-8-16)13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine?
N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80677181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).