N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine

C13H21BrN4O — CID 106997331

IUPACN'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
SMILESCOc1nc(N(CCCN)C2CCCC2)ncc1Br
InChIInChI=1S/C13H21BrN4O/c1-19-12-11(14)9-16-13(17-12)18(8-4-7-15)10-5-2-3-6-10/h9-10H,2-8,15H2,1H3
InChIKeyXJMSRGOVAMWFCV-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.35
Rot. Bonds6

About N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine (PubChem CID 106997331) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
PubChem CID106997331
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC NameN'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
SMILESCOc1nc(N(CCCN)C2CCCC2)ncc1Br
InChIInChI=1S/C13H21BrN4O/c1-19-12-11(14)9-16-13(17-12)18(8-4-7-15)10-5-2-3-6-10/h9-10H,2-8,15H2,1H3
InChIKeyXJMSRGOVAMWFCV-UHFFFAOYSA-N
XLogP2.35
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cycloheptylpropane-1,3-diamine
CID 106997333
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
CID 106998950
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
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-4-methoxypyrimidin-2-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106997593

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine (CID 106997331) is N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine is COc1nc(N(CCCN)C2CCCC2)ncc1Br.
What is the InChIKey of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine?
The InChIKey is XJMSRGOVAMWFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-19-12-11(14)9-16-13(17-12)18(8-4-7-15)10-5-2-3-6-10/h9-10H,2-8,15H2,1H3.
What are the key properties of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine?
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine has a molecular weight of 329.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine is sourced from PubChem (CID 106997331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).