(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol

C12H13N5OS — CID 164633310

IUPAC(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol
SMILESCn1nccc1[C@H](CO)Nc1ncnc2ccsc12
InChIInChI=1S/C12H13N5OS/c1-17-10(2-4-15-17)9(6-18)16-12-11-8(3-5-19-11)13-7-14-12/h2-5,7,9,18H,6H2,1H3,(H,13,14,16)/t9-/m0/s1
InChIKeyDNVSFWQGKFWARG-VIFPVBQESA-N
MW275.34 g/mol
LogP1.57
Rot. Bonds4

About (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol

(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol (PubChem CID 164633310) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol
PubChem CID164633310
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol
SMILESCn1nccc1[C@H](CO)Nc1ncnc2ccsc12
InChIInChI=1S/C12H13N5OS/c1-17-10(2-4-15-17)9(6-18)16-12-11-8(3-5-19-11)13-7-14-12/h2-5,7,9,18H,6H2,1H3,(H,13,14,16)/t9-/m0/s1
InChIKeyDNVSFWQGKFWARG-VIFPVBQESA-N
XLogP1.57
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol?
The IUPAC name of (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol (CID 164633310) is (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol.
What is the SMILES notation for (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol?
The canonical SMILES for (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol is Cn1nccc1[C@H](CO)Nc1ncnc2ccsc12.
What is the InChIKey of (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol?
The InChIKey is DNVSFWQGKFWARG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N5OS/c1-17-10(2-4-15-17)9(6-18)16-12-11-8(3-5-19-11)13-7-14-12/h2-5,7,9,18H,6H2,1H3,(H,13,14,16)/t9-/m0/s1.
What are the key properties of (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol?
(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol has a molecular weight of 275.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol is sourced from PubChem (CID 164633310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).