6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione

C18H25N3O4 — CID 11046260

IUPAC6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
SMILESCOCCCCn1c(=O)cc(Nc2ccc(C)c(C(C)O)c2)[nH]c1=O
InChIInChI=1S/C18H25N3O4/c1-12-6-7-14(10-15(12)13(2)22)19-16-11-17(23)21(18(24)20-16)8-4-5-9-25-3/h6-7,10-11,13,19,22H,4-5,8-9H2,1-3H3,(H,20,24)
InChIKeyHZUKJCLMSZYRJF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.07
Rot. Bonds8

About 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione

6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione (PubChem CID 11046260) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
PubChem CID11046260
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
SMILESCOCCCCn1c(=O)cc(Nc2ccc(C)c(C(C)O)c2)[nH]c1=O
InChIInChI=1S/C18H25N3O4/c1-12-6-7-14(10-15(12)13(2)22)19-16-11-17(23)21(18(24)20-16)8-4-5-9-25-3/h6-7,10-11,13,19,22H,4-5,8-9H2,1-3H3,(H,20,24)
InChIKeyHZUKJCLMSZYRJF-UHFFFAOYSA-N
XLogP2.07
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione (CID 11046260) is 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione is COCCCCn1c(=O)cc(Nc2ccc(C)c(C(C)O)c2)[nH]c1=O.
What is the InChIKey of 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HZUKJCLMSZYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-6-7-14(10-15(12)13(2)22)19-16-11-17(23)21(18(24)20-16)8-4-5-9-25-3/h6-7,10-11,13,19,22H,4-5,8-9H2,1-3H3,(H,20,24).
What are the key properties of 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-hydroxyethyl)-4-methylanilino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11046260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).