3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

C17H31N5O4 — CID 5325332

IUPAC3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESCC(C)CN1C(=O)N(CN2CCOCC2)CN(CN2CCOCC2)C1=O
InChIInChI=1S/C17H31N5O4/c1-15(2)11-22-16(23)20(12-18-3-7-25-8-4-18)14-21(17(22)24)13-19-5-9-26-10-6-19/h15H,3-14H2,1-2H3
InChIKeySQADTIUHNRWPGF-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.34
Rot. Bonds6

About 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 5325332) has the molecular formula C17H31N5O4 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
PubChem CID5325332
Molecular FormulaC17H31N5O4
Molecular Weight369.47 g/mol
Exact Mass369.24
IUPAC Name3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESCC(C)CN1C(=O)N(CN2CCOCC2)CN(CN2CCOCC2)C1=O
InChIInChI=1S/C17H31N5O4/c1-15(2)11-22-16(23)20(12-18-3-7-25-8-4-18)14-21(17(22)24)13-19-5-9-26-10-6-19/h15H,3-14H2,1-2H3
InChIKeySQADTIUHNRWPGF-UHFFFAOYSA-N
XLogP0.34
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-Methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 2930099
2(1H)-Pyrimidinone, tetrahydro-1,3-bis(4-morpholinylmethyl)-
CID 567997
3-Methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
CID 15309375
1-Methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea
CID 54237580
[(3S)-3-methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 1320181
[(3R)-3-methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 1320183

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (CID 5325332) is 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is CC(C)CN1C(=O)N(CN2CCOCC2)CN(CN2CCOCC2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is SQADTIUHNRWPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O4/c1-15(2)11-22-16(23)20(12-18-3-7-25-8-4-18)14-21(17(22)24)13-19-5-9-26-10-6-19/h15H,3-14H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 5325332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).