5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide

C₂₁H₂₂N₄O₃ — CID 121486001

About 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide

5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide (PubChem CID 121486001) has the molecular formula C₂₁H₂₂N₄O₃ and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
• PubChem CID: 121486001
• Molecular Formula: C₂₁H₂₂N₄O₃
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
• SMILES: C=C1NC(=O)NC(C(=O)N[C@H](C)COc2cccc(-c3ccccc3)c2)=C1N
• InChI: InChI=1S/C21H22N4O3/c1-13(23-20(26)19-18(22)14(2)24-21(27)25-19)12-28-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,13H,2,12,22H2,1H3,(H,23,26)(H2,24,25,27)/t13-/m1/s1
• InChIKey: RGGDMGGJNBXOMP-CYBMUJFWSA-N
• XLogP: 2.23
• TPSA: 105.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide (CID 121486001) is 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide.

What is the SMILES notation for 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?

The canonical SMILES for 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2cccc(-c3ccccc3)c2)=C1N.

What is the InChIKey of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?

The InChIKey is RGGDMGGJNBXOMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(23-20(26)19-18(22)14(2)24-21(27)25-19)12-28-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,13H,2,12,22H2,1H3,(H,23,26)(H2,24,25,27)/t13-/m1/s1.

What are the key properties of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?

5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121486001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121486001 — identifiers, structure, computed properties (public domain)

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