4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C18H33N5O — CID 133420627

IUPAC4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCC(C)(C)CC2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C18H33N5O/c1-13(2)15-20-16(22-17(21-15)23(5)6)19-12-18(3,4)11-14-7-9-24-10-8-14/h13-14H,7-12H2,1-6H3,(H,19,20,21,22)
InChIKeyHQPJKFPLGIGXKQ-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.32
Rot. Bonds7

About 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133420627) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133420627
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCC(C)(C)CC2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C18H33N5O/c1-13(2)15-20-16(22-17(21-15)23(5)6)19-12-18(3,4)11-14-7-9-24-10-8-14/h13-14H,7-12H2,1-6H3,(H,19,20,21,22)
InChIKeyHQPJKFPLGIGXKQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133420627) is 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCC(C)(C)CC2CCOCC2)nc(N(C)C)n1.
What is the InChIKey of 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HQPJKFPLGIGXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-13(2)15-20-16(22-17(21-15)23(5)6)19-12-18(3,4)11-14-7-9-24-10-8-14/h13-14H,7-12H2,1-6H3,(H,19,20,21,22).
What are the key properties of 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 335.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133420627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).