6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione

C11H20N4O2 — CID 21331395

IUPAC6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione
SMILESCNCCn1c(C)cc(=O)n(CCNC)c1=O
InChIInChI=1S/C11H20N4O2/c1-9-8-10(16)15(7-5-13-3)11(17)14(9)6-4-12-2/h8,12-13H,4-7H2,1-3H3
InChIKeyMACCBANYVWNCIL-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.24
Rot. Bonds6

About 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione

6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 21331395) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione
PubChem CID21331395
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione
SMILESCNCCn1c(C)cc(=O)n(CCNC)c1=O
InChIInChI=1S/C11H20N4O2/c1-9-8-10(16)15(7-5-13-3)11(17)14(9)6-4-12-2/h8,12-13H,4-7H2,1-3H3
InChIKeyMACCBANYVWNCIL-UHFFFAOYSA-N
XLogP-1.24
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione (CID 21331395) is 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione is CNCCn1c(C)cc(=O)n(CCNC)c1=O.
What is the InChIKey of 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is MACCBANYVWNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9-8-10(16)15(7-5-13-3)11(17)14(9)6-4-12-2/h8,12-13H,4-7H2,1-3H3.
What are the key properties of 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione?
6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 21331395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).