2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 112746218

IUPAC2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1nc(N)nc(NCC2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-2-3-10-15-11(13)17-12(16-10)14-8-9-4-6-18-7-5-9/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyTZMRRKCSPLIRIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds5

About 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine

2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 112746218) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine
PubChem CID112746218
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1nc(N)nc(NCC2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-2-3-10-15-11(13)17-12(16-10)14-8-9-4-6-18-7-5-9/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyTZMRRKCSPLIRIF-UHFFFAOYSA-N
XLogP1.24
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine (CID 112746218) is 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine is CCCc1nc(N)nc(NCC2CCOCC2)n1.
What is the InChIKey of 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is TZMRRKCSPLIRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-3-10-15-11(13)17-12(16-10)14-8-9-4-6-18-7-5-9/h9H,2-8H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine?
2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-ylmethyl)-6-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).