2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol

C19H17N3OS — CID 126479815

IUPAC2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol
SMILESOc1ccccc1C1CC(c2cccs2)=NC(c2ccncc2)N1
InChIInChI=1S/C19H17N3OS/c23-17-5-2-1-4-14(17)15-12-16(18-6-3-11-24-18)22-19(21-15)13-7-9-20-10-8-13/h1-11,15,19,21,23H,12H2
InChIKeyHSAATHIGCKEIGP-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol

2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol (PubChem CID 126479815) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol.

Molecular Properties

Compound Name2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol
PubChem CID126479815
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol
SMILESOc1ccccc1C1CC(c2cccs2)=NC(c2ccncc2)N1
InChIInChI=1S/C19H17N3OS/c23-17-5-2-1-4-14(17)15-12-16(18-6-3-11-24-18)22-19(21-15)13-7-9-20-10-8-13/h1-11,15,19,21,23H,12H2
InChIKeyHSAATHIGCKEIGP-UHFFFAOYSA-N
XLogP4.07
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol?
The IUPAC name of 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol (CID 126479815) is 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol.
What is the SMILES notation for 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol?
The canonical SMILES for 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol is Oc1ccccc1C1CC(c2cccs2)=NC(c2ccncc2)N1.
What is the InChIKey of 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol?
The InChIKey is HSAATHIGCKEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-17-5-2-1-4-14(17)15-12-16(18-6-3-11-24-18)22-19(21-15)13-7-9-20-10-8-13/h1-11,15,19,21,23H,12H2.
What are the key properties of 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol?
2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol has a molecular weight of 335.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol is sourced from PubChem (CID 126479815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).