N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine

C12H19BrN4 — CID 66341181

IUPACN'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
SMILESNCCCN(c1ncncc1Br)C1CCCC1
InChIInChI=1S/C12H19BrN4/c13-11-8-15-9-16-12(11)17(7-3-6-14)10-4-1-2-5-10/h8-10H,1-7,14H2
InChIKeyXEAYYGMCJOUJJP-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.34
Rot. Bonds5

About N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine

N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine (PubChem CID 66341181) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
PubChem CID66341181
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC NameN'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
SMILESNCCCN(c1ncncc1Br)C1CCCC1
InChIInChI=1S/C12H19BrN4/c13-11-8-15-9-16-12(11)17(7-3-6-14)10-4-1-2-5-10/h8-10H,1-7,14H2
InChIKeyXEAYYGMCJOUJJP-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 103582177
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 66319709
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 79033246
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
CID 102871338
N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 62833493
4-[3-aminopropyl(cycloheptyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972588
N'-(5-bromoisoquinolin-1-yl)-N'-cyclobutylpropane-1,3-diamine
CID 106543638

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine (CID 66341181) is N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine is NCCCN(c1ncncc1Br)C1CCCC1.
What is the InChIKey of N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine?
The InChIKey is XEAYYGMCJOUJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c13-11-8-15-9-16-12(11)17(7-3-6-14)10-4-1-2-5-10/h8-10H,1-7,14H2.
What are the key properties of N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine?
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine has a molecular weight of 299.22 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine is sourced from PubChem (CID 66341181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).