6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

C20H30N4O4 — CID 19012104

IUPAC6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCN(CCO)CCCc1ccccc1O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H30N4O4/c1-21(18-15-19(27)23(3)20(28)22(18)2)11-12-24(13-14-25)10-6-8-16-7-4-5-9-17(16)26/h4-5,7,9,15,25-26H,6,8,10-14H2,1-3H3
InChIKeyNVIMMHLYECLNQR-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.15
Rot. Bonds10

About 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 19012104) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID19012104
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCN(CCO)CCCc1ccccc1O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H30N4O4/c1-21(18-15-19(27)23(3)20(28)22(18)2)11-12-24(13-14-25)10-6-8-16-7-4-5-9-17(16)26/h4-5,7,9,15,25-26H,6,8,10-14H2,1-3H3
InChIKeyNVIMMHLYECLNQR-UHFFFAOYSA-N
XLogP0.15
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 19012104) is 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is CN(CCN(CCO)CCCc1ccccc1O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NVIMMHLYECLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-21(18-15-19(27)23(3)20(28)22(18)2)11-12-24(13-14-25)10-6-8-16-7-4-5-9-17(16)26/h4-5,7,9,15,25-26H,6,8,10-14H2,1-3H3.
What are the key properties of 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 390.48 g/mol, XLogP of 0.15, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 19012104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).