5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C16H17N3O4 — CID 3627733

IUPAC5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C(C)=N/C3CC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H17N3O4/c1-9(17-10-3-4-10)13-14(20)18-16(22)19(15(13)21)11-5-7-12(23-2)8-6-11/h5-8,10,21H,3-4H2,1-2H3,(H,18,20,22)/b17-9+
InChIKeyFOTMOIMEANZFTI-RQZCQDPDSA-N
MW315.33 g/mol
LogP1.21
Rot. Bonds4

About 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 3627733) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID3627733
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C(C)=N/C3CC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H17N3O4/c1-9(17-10-3-4-10)13-14(20)18-16(22)19(15(13)21)11-5-7-12(23-2)8-6-11/h5-8,10,21H,3-4H2,1-2H3,(H,18,20,22)/b17-9+
InChIKeyFOTMOIMEANZFTI-RQZCQDPDSA-N
XLogP1.21
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 3627733) is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C(C)=N/C3CC3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is FOTMOIMEANZFTI-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9(17-10-3-4-10)13-14(20)18-16(22)19(15(13)21)11-5-7-12(23-2)8-6-11/h5-8,10,21H,3-4H2,1-2H3,(H,18,20,22)/b17-9+.
What are the key properties of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 315.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3627733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).