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

C19H28N4O3 — CID 19011800

IUPAC6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCCc1ccc(O)cc1)CCN(C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H28N4O3/c1-20(11-5-6-15-7-9-16(24)10-8-15)12-13-21(2)17-14-18(25)23(4)19(26)22(17)3/h7-10,14,24H,5-6,11-13H2,1-4H3
InChIKeyRVDDLIOHVKUUPN-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.79
Rot. Bonds8

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

6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 19011800) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID19011800
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCCc1ccc(O)cc1)CCN(C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H28N4O3/c1-20(11-5-6-15-7-9-16(24)10-8-15)12-13-21(2)17-14-18(25)23(4)19(26)22(17)3/h7-10,14,24H,5-6,11-13H2,1-4H3
InChIKeyRVDDLIOHVKUUPN-UHFFFAOYSA-N
XLogP0.79
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 19011800) is 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is CN(CCCc1ccc(O)cc1)CCN(C)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RVDDLIOHVKUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-20(11-5-6-15-7-9-16(24)10-8-15)12-13-21(2)17-14-18(25)23(4)19(26)22(17)3/h7-10,14,24H,5-6,11-13H2,1-4H3.
What are the key properties of 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 360.46 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-hydroxyphenyl)propyl-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 19011800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).