VVOCDZXSPRDCKW-UHFFFAOYSA-N

Name: VVOCDZXSPRDCKW-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₀N₄O₃S — CID 11690028

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine

SMILESCOc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1

InChIInChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)

InChIKeyVVOCDZXSPRDCKW-UHFFFAOYSA-N

MW408.48 g/mol

LogP4.53

Rot. Bonds8

About VVOCDZXSPRDCKW-UHFFFAOYSA-N

VVOCDZXSPRDCKW-UHFFFAOYSA-N (PubChem CID 11690028) has the molecular formula C₂₁H₂₀N₄O₃S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name	VVOCDZXSPRDCKW-UHFFFAOYSA-N
PubChem CID	11690028
Molecular Formula	C₂₁H₂₀N₄O₃S
Molecular Weight	408.48 g/mol
Exact Mass	408.13
IUPAC Name	2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine
SMILES	COc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1
InChI	InChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)
InChIKey	VVOCDZXSPRDCKW-UHFFFAOYSA-N
XLogP	4.53
TPSA	82.30 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of VVOCDZXSPRDCKW-UHFFFAOYSA-N?

The IUPAC name of VVOCDZXSPRDCKW-UHFFFAOYSA-N (CID 11690028) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine.

What is the SMILES notation for VVOCDZXSPRDCKW-UHFFFAOYSA-N?

The canonical SMILES for VVOCDZXSPRDCKW-UHFFFAOYSA-N is COc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1.

What is the InChIKey of VVOCDZXSPRDCKW-UHFFFAOYSA-N?

The InChIKey is VVOCDZXSPRDCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25).

What are the key properties of VVOCDZXSPRDCKW-UHFFFAOYSA-N?

VVOCDZXSPRDCKW-UHFFFAOYSA-N has a molecular weight of 408.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for VVOCDZXSPRDCKW-UHFFFAOYSA-N is sourced from PubChem (CID 11690028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11690028 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.