[4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol

C19H15N3OS — CID 127024859

IUPAC[4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc3c(Nc4ccccc4)ncnc3s2)cc1
InChIInChI=1S/C19H15N3OS/c23-11-13-6-8-14(9-7-13)17-10-16-18(20-12-21-19(16)24-17)22-15-4-2-1-3-5-15/h1-10,12,23H,11H2,(H,20,21,22)
InChIKeyHMTNGGQPUKYRKI-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.59
Rot. Bonds4

About [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol

[4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol (PubChem CID 127024859) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol
PubChem CID127024859
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name[4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc3c(Nc4ccccc4)ncnc3s2)cc1
InChIInChI=1S/C19H15N3OS/c23-11-13-6-8-14(9-7-13)17-10-16-18(20-12-21-19(16)24-17)22-15-4-2-1-3-5-15/h1-10,12,23H,11H2,(H,20,21,22)
InChIKeyHMTNGGQPUKYRKI-UHFFFAOYSA-N
XLogP4.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol with MolForge

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Related Compounds

Thienopyrimidine deriv. 84
CID 6540017
Thienopyrimidine deriv. 85
CID 6540018
Thienopyrimidine deriv. 86
CID 6540019
{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-phenyl}-methanol
CID 18382910
1-Phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 3894843
(2S)-2-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)ethanol
CID 49788361
(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 59322699
(2S)-2-[[6-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 71558906
(2S)-2-phenyl-2-[[6-[4-(piperazin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 71558907
(2S)-2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 89556219
[4-(4-Anilinothieno[2,3-d]pyrimidin-6-yl)-3-methoxyphenyl]methanol
CID 117803686
2-[(6-Bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 118734193

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol?
The IUPAC name of [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol (CID 127024859) is [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol?
The canonical SMILES for [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol is OCc1ccc(-c2cc3c(Nc4ccccc4)ncnc3s2)cc1.
What is the InChIKey of [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol?
The InChIKey is HMTNGGQPUKYRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-11-13-6-8-14(9-7-13)17-10-16-18(20-12-21-19(16)24-17)22-15-4-2-1-3-5-15/h1-10,12,23H,11H2,(H,20,21,22).
What are the key properties of [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol?
[4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol has a molecular weight of 333.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol is sourced from PubChem (CID 127024859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).