1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea

C₁₈H₂₀N₄O₂ — CID 155559468

About 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea

1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea (PubChem CID 155559468) has the molecular formula C₁₈H₂₀N₄O₂ and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea.

Molecular Properties

• Compound Name: 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
• PubChem CID: 155559468
• Molecular Formula: C₁₈H₂₀N₄O₂
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.16
• IUPAC Name: 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
• SMILES: CCNC(=O)Nc1ccc(-c2nccc(C3=CCOCC3)n2)cc1
• InChI: InChI=1S/C18H20N4O2/c1-2-19-18(23)21-15-5-3-14(4-6-15)17-20-10-7-16(22-17)13-8-11-24-12-9-13/h3-8,10H,2,9,11-12H2,1H3,(H2,19,21,23)
• InChIKey: DDOFYTCIAAOFGR-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?

The IUPAC name of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea (CID 155559468) is 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea.

What is the SMILES notation for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?

The canonical SMILES for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2nccc(C3=CCOCC3)n2)cc1.

What is the InChIKey of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?

The InChIKey is DDOFYTCIAAOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-19-18(23)21-15-5-3-14(4-6-15)17-20-10-7-16(22-17)13-8-11-24-12-9-13/h3-8,10H,2,9,11-12H2,1H3,(H2,19,21,23).

What are the key properties of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?

1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea has a molecular weight of 324.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 155559468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155559468 — identifiers, structure, computed properties (public domain)

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