2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C19H32N6O — CID 5302411

IUPAC2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(Nc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H32N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h15-16H,1-14H2,(H2,20,21,22,23,24)
InChIKeyAQQCCSZOGTUWTB-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.20
Rot. Bonds5

About 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 5302411) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID5302411
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(Nc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H32N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h15-16H,1-14H2,(H2,20,21,22,23,24)
InChIKeyAQQCCSZOGTUWTB-UHFFFAOYSA-N
XLogP3.20
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 5302411) is 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is C1CCC(Nc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AQQCCSZOGTUWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h15-16H,1-14H2,(H2,20,21,22,23,24).
What are the key properties of 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 360.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dicyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5302411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).