1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione

C11H18N2O4 — CID 69181243

IUPAC1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione
SMILESCOCCn1c(C)cc(=O)n(CCOC)c1=O
InChIInChI=1S/C11H18N2O4/c1-9-8-10(14)13(5-7-17-3)11(15)12(9)4-6-16-2/h8H,4-7H2,1-3H3
InChIKeyNWZHMVZQTCBMTB-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.39
Rot. Bonds6

About 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione

1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione (PubChem CID 69181243) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione
PubChem CID69181243
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione
SMILESCOCCn1c(C)cc(=O)n(CCOC)c1=O
InChIInChI=1S/C11H18N2O4/c1-9-8-10(14)13(5-7-17-3)11(15)12(9)4-6-16-2/h8H,4-7H2,1-3H3
InChIKeyNWZHMVZQTCBMTB-UHFFFAOYSA-N
XLogP-0.39
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione (CID 69181243) is 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione is COCCn1c(C)cc(=O)n(CCOC)c1=O.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is NWZHMVZQTCBMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-9-8-10(14)13(5-7-17-3)11(15)12(9)4-6-16-2/h8H,4-7H2,1-3H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione?
1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 242.27 g/mol, XLogP of -0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 69181243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).