2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol

C16H24N6OS — CID 19140747

IUPAC2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNc1c(NCCc2cccs2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C16H24N6OS/c17-14-15(18-4-3-13-2-1-11-24-13)19-12-20-16(14)22-7-5-21(6-8-22)9-10-23/h1-2,11-12,23H,3-10,17H2,(H,18,19,20)
InChIKeyKNFMPPCSJGIHQP-UHFFFAOYSA-N
MW348.48 g/mol
LogP0.89
Rot. Bonds7

About 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 19140747) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID19140747
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNc1c(NCCc2cccs2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C16H24N6OS/c17-14-15(18-4-3-13-2-1-11-24-13)19-12-20-16(14)22-7-5-21(6-8-22)9-10-23/h1-2,11-12,23H,3-10,17H2,(H,18,19,20)
InChIKeyKNFMPPCSJGIHQP-UHFFFAOYSA-N
XLogP0.89
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 19140747) is 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol is Nc1c(NCCc2cccs2)ncnc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is KNFMPPCSJGIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c17-14-15(18-4-3-13-2-1-11-24-13)19-12-20-16(14)22-7-5-21(6-8-22)9-10-23/h1-2,11-12,23H,3-10,17H2,(H,18,19,20).
What are the key properties of 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 348.48 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 19140747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).