3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

C14H14N4OS — CID 166320094

IUPAC3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C14H14N4OS/c19-8-3-7-16-12-10-5-9-20-14(10)18-13(17-12)11-4-1-2-6-15-11/h1-2,4-6,9,19H,3,7-8H2,(H,16,17,18)
InChIKeyZGLOEMSSVANEPJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.55
Rot. Bonds5

About 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 166320094) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID166320094
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C14H14N4OS/c19-8-3-7-16-12-10-5-9-20-14(10)18-13(17-12)11-4-1-2-6-15-11/h1-2,4-6,9,19H,3,7-8H2,(H,16,17,18)
InChIKeyZGLOEMSSVANEPJ-UHFFFAOYSA-N
XLogP2.55
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 9280455
N-cyclopropyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 166245959
N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166245983
N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166246019
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166278916
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320046
[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol
CID 166310130
N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide
CID 167866311
(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 138020227
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320075

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 166320094) is 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is OCCCNc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is ZGLOEMSSVANEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-8-3-7-16-12-10-5-9-20-14(10)18-13(17-12)11-4-1-2-6-15-11/h1-2,4-6,9,19H,3,7-8H2,(H,16,17,18).
What are the key properties of 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 286.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 166320094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).