N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine

C15H27N5 — CID 112887183

IUPACN-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCCC1CCCCN1c1ccnc(NCCN(C)C)n1
InChIInChI=1S/C15H27N5/c1-4-13-7-5-6-11-20(13)14-8-9-16-15(18-14)17-10-12-19(2)3/h8-9,13H,4-7,10-12H2,1-3H3,(H,16,17,18)
InChIKeyCYRCKLFSRYZHFY-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.22
Rot. Bonds6

About N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112887183) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112887183
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCCC1CCCCN1c1ccnc(NCCN(C)C)n1
InChIInChI=1S/C15H27N5/c1-4-13-7-5-6-11-20(13)14-8-9-16-15(18-14)17-10-12-19(2)3/h8-9,13H,4-7,10-12H2,1-3H3,(H,16,17,18)
InChIKeyCYRCKLFSRYZHFY-UHFFFAOYSA-N
XLogP2.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900838
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 112887183) is N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is CCC1CCCCN1c1ccnc(NCCN(C)C)n1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CYRCKLFSRYZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-13-7-5-6-11-20(13)14-8-9-16-15(18-14)17-10-12-19(2)3/h8-9,13H,4-7,10-12H2,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112887183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).