2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid

C16H20N4O3S — CID 134710516

IUPAC2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1ccnc(N2CCC(C(O)c3cccs3)CC2)n1
InChIInChI=1S/C16H20N4O3S/c21-14(22)10-18-13-3-6-17-16(19-13)20-7-4-11(5-8-20)15(23)12-2-1-9-24-12/h1-3,6,9,11,15,23H,4-5,7-8,10H2,(H,21,22)(H,17,18,19)
InChIKeyHCVRGNIMAPAZJV-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.98
Rot. Bonds6

About 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid

2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid (PubChem CID 134710516) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
PubChem CID134710516
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1ccnc(N2CCC(C(O)c3cccs3)CC2)n1
InChIInChI=1S/C16H20N4O3S/c21-14(22)10-18-13-3-6-17-16(19-13)20-7-4-11(5-8-20)15(23)12-2-1-9-24-12/h1-3,6,9,11,15,23H,4-5,7-8,10H2,(H,21,22)(H,17,18,19)
InChIKeyHCVRGNIMAPAZJV-UHFFFAOYSA-N
XLogP1.98
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid (CID 134710516) is 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid is O=C(O)CNc1ccnc(N2CCC(C(O)c3cccs3)CC2)n1.
What is the InChIKey of 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid?
The InChIKey is HCVRGNIMAPAZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-14(22)10-18-13-3-6-17-16(19-13)20-7-4-11(5-8-20)15(23)12-2-1-9-24-12/h1-3,6,9,11,15,23H,4-5,7-8,10H2,(H,21,22)(H,17,18,19).
What are the key properties of 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid?
2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid has a molecular weight of 348.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 134710516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).