4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol

C19H14ClN3OS — CID 154872580

IUPAC4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
SMILESOc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-6-8-14(24)9-7-12)16-15(11-25-18(16)23-19)13-4-2-1-3-5-13/h1-9,11,24H,10H2,(H,21,22,23)
InChIKeyNNBAZKOESMUGEL-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.33
Rot. Bonds4

About 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol

4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol (PubChem CID 154872580) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
PubChem CID154872580
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
SMILESOc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-6-8-14(24)9-7-12)16-15(11-25-18(16)23-19)13-4-2-1-3-5-13/h1-9,11,24H,10H2,(H,21,22,23)
InChIKeyNNBAZKOESMUGEL-UHFFFAOYSA-N
XLogP5.33
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
2-chloro-4-[(4-hydroxyphenyl)methylamino]-5-phenyl-5H-thieno[2,3-d]pyrimidin-6-one
CID 163410274
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 23631944
4-[2-[(5-Methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 23632056
4-[(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 5104861
3-{[(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
CID 165368440
3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}phenol
CID 733564
3-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 733565
3-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 733568
3-{[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino}phenol
CID 1191831
4-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol hydrochloride
CID 2792371

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol (CID 154872580) is 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol is Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is NNBAZKOESMUGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-6-8-14(24)9-7-12)16-15(11-25-18(16)23-19)13-4-2-1-3-5-13/h1-9,11,24H,10H2,(H,21,22,23).
What are the key properties of 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol?
4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 367.86 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 154872580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).