N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine

C12H19FN4 — CID 112703177

IUPACN'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ncc(F)cn1)C1CCCC1
InChIInChI=1S/C12H19FN4/c1-17(11-4-2-3-5-11)7-6-14-12-15-8-10(13)9-16-12/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyDZEOPJABOGYROZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.90
Rot. Bonds5

About N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 112703177) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID112703177
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC NameN'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ncc(F)cn1)C1CCCC1
InChIInChI=1S/C12H19FN4/c1-17(11-4-2-3-5-11)7-6-14-12-15-8-10(13)9-16-12/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyDZEOPJABOGYROZ-UHFFFAOYSA-N
XLogP1.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914834
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
N'-cyclopentyl-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914205
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 112703177) is N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine is CN(CCNc1ncc(F)cn1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is DZEOPJABOGYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-17(11-4-2-3-5-11)7-6-14-12-15-8-10(13)9-16-12/h8-9,11H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 238.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 112703177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).