4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

C19H35N7O — CID 117085708

IUPAC4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C19H35N7O/c1-4-9-20-17-21-18(24(5-2)6-3)23-19(22-17)26-10-7-16(8-11-26)25-12-14-27-15-13-25/h16H,4-15H2,1-3H3,(H,20,21,22,23)
InChIKeyFEYMBZOWDNXPPF-UHFFFAOYSA-N
MW377.54 g/mol
LogP1.84
Rot. Bonds8

About 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 117085708) has the molecular formula C19H35N7O and a molecular weight of 377.54 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID117085708
Molecular FormulaC19H35N7O
Molecular Weight377.54 g/mol
Exact Mass377.29
IUPAC Name4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C19H35N7O/c1-4-9-20-17-21-18(24(5-2)6-3)23-19(22-17)26-10-7-16(8-11-26)25-12-14-27-15-13-25/h16H,4-15H2,1-3H3,(H,20,21,22,23)
InChIKeyFEYMBZOWDNXPPF-UHFFFAOYSA-N
XLogP1.84
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 117085708) is 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(N(CC)CC)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FEYMBZOWDNXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7O/c1-4-9-20-17-21-18(24(5-2)6-3)23-19(22-17)26-10-7-16(8-11-26)25-12-14-27-15-13-25/h16H,4-15H2,1-3H3,(H,20,21,22,23).
What are the key properties of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 377.54 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117085708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).