3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

C20H18N4OS — CID 9280455

IUPAC3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4OS/c25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h1-5,7-10,13,25H,6,11-12H2,(H,22,23,24)
InChIKeyNPVBVSUJQHVSJE-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.21
Rot. Bonds6

About 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 9280455) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID9280455
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4OS/c25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h1-5,7-10,13,25H,6,11-12H2,(H,22,23,24)
InChIKeyNPVBVSUJQHVSJE-UHFFFAOYSA-N
XLogP4.21
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.21
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

(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 9310948
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
[4-[[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]sulfamic acid
CID 166061008
3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 166320094
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 93214379
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one
CID 157342130
3-[(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)amino]propan-1-ol
CID 5069912
N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 95161136
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 9280455) is 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is OCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is NPVBVSUJQHVSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h1-5,7-10,13,25H,6,11-12H2,(H,22,23,24).
What are the key properties of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 362.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 9280455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).