N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine

C11H17BrN4 — CID 106738307

IUPACN-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine
SMILESNCC(Nc1ncc(Br)cn1)C1CCCC1
InChIInChI=1S/C11H17BrN4/c12-9-6-14-11(15-7-9)16-10(5-13)8-3-1-2-4-8/h6-8,10H,1-5,13H2,(H,14,15,16)
InChIKeyHFSHSNASHGTVQC-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.17
Rot. Bonds4

About N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine

N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine (PubChem CID 106738307) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine
PubChem CID106738307
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC NameN-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine
SMILESNCC(Nc1ncc(Br)cn1)C1CCCC1
InChIInChI=1S/C11H17BrN4/c12-9-6-14-11(15-7-9)16-10(5-13)8-3-1-2-4-8/h6-8,10H,1-5,13H2,(H,14,15,16)
InChIKeyHFSHSNASHGTVQC-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590
N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
CID 103582869
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 106738262
1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(4-bromo-1,3-thiazol-2-yl)-1-cyclopentylethane-1,2-diamine
CID 106738202
1-cyclohexyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 115309503
1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 115309628
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
CID 106738088

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine (CID 106738307) is N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine is NCC(Nc1ncc(Br)cn1)C1CCCC1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine?
The InChIKey is HFSHSNASHGTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c12-9-6-14-11(15-7-9)16-10(5-13)8-3-1-2-4-8/h6-8,10H,1-5,13H2,(H,14,15,16).
What are the key properties of N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine?
N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 106738307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).