6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione

C20H30N4O4 — CID 19011877

IUPAC6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(CCCN(CCO)CCNc2cc(=O)n(C)c(=O)n2C)c1
InChIInChI=1S/C20H30N4O4/c1-22-18(15-19(26)23(2)20(22)27)21-9-11-24(12-13-25)10-5-7-16-6-4-8-17(14-16)28-3/h4,6,8,14-15,21,25H,5,7,9-13H2,1-3H3
InChIKeySFBFHXMABLANOD-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.43
Rot. Bonds11

About 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 19011877) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID19011877
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(CCCN(CCO)CCNc2cc(=O)n(C)c(=O)n2C)c1
InChIInChI=1S/C20H30N4O4/c1-22-18(15-19(26)23(2)20(22)27)21-9-11-24(12-13-25)10-5-7-16-6-4-8-17(14-16)28-3/h4,6,8,14-15,21,25H,5,7,9-13H2,1-3H3
InChIKeySFBFHXMABLANOD-UHFFFAOYSA-N
XLogP0.43
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.43
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-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 19011877) is 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione is COc1cccc(CCCN(CCO)CCNc2cc(=O)n(C)c(=O)n2C)c1.
What is the InChIKey of 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SFBFHXMABLANOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-22-18(15-19(26)23(2)20(22)27)21-9-11-24(12-13-25)10-5-7-16-6-4-8-17(14-16)28-3/h4,6,8,14-15,21,25H,5,7,9-13H2,1-3H3.
What are the key properties of 6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[2-hydroxyethyl-[3-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 390.48 g/mol, XLogP of 0.43, 11 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-(3-methoxyphenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 19011877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).