1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

C16H22N4S — CID 71980333

IUPAC1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cccs3)CC2)ncn1
InChIInChI=1S/C16H22N4S/c1-2-13-10-16(19-12-18-13)20-7-5-14(6-8-20)17-11-15-4-3-9-21-15/h3-4,9-10,12,14,17H,2,5-8,11H2,1H3
InChIKeyKAJOQIMNGVXTQM-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.86
Rot. Bonds5

About 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 71980333) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID71980333
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cccs3)CC2)ncn1
InChIInChI=1S/C16H22N4S/c1-2-13-10-16(19-12-18-13)20-7-5-14(6-8-20)17-11-15-4-3-9-21-15/h3-4,9-10,12,14,17H,2,5-8,11H2,1H3
InChIKeyKAJOQIMNGVXTQM-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
3-[Methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
CID 146027021
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
2-(4-Methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
CID 452522
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
4-N,4-N-dimethyl-1-N-(4-thiophen-2-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 14347133
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233723
2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233958
2-butyl-N-cyclohexylthieno[3,2-d]pyrimidin-4-amine
CID 10266192

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 71980333) is 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is CCc1cc(N2CCC(NCc3cccs3)CC2)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is KAJOQIMNGVXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-13-10-16(19-12-18-13)20-7-5-14(6-8-20)17-11-15-4-3-9-21-15/h3-4,9-10,12,14,17H,2,5-8,11H2,1H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 71980333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).