N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine

C13H22N4O — CID 66327031

IUPACN'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C2CCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-17(11-5-3-4-6-11)8-7-14-12-9-13(18-2)16-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyAPHOWYRIRJNMNZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds6

About N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 66327031) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID66327031
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C2CCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-17(11-5-3-4-6-11)8-7-14-12-9-13(18-2)16-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyAPHOWYRIRJNMNZ-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 114156444
N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355111
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 66327031) is N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine is COc1cc(NCCN(C)C2CCCC2)ncn1.
What is the InChIKey of N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is APHOWYRIRJNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(11-5-3-4-6-11)8-7-14-12-9-13(18-2)16-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66327031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).