2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine

C12H24N6 — CID 21623

IUPAC2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H24N6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3,(H3,13,14,15,16,17,18)
InChIKeyVHYSDRYXGKFTPY-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.33
Rot. Bonds6

About 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 21623) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID21623
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H24N6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3,(H3,13,14,15,16,17,18)
InChIKeyVHYSDRYXGKFTPY-UHFFFAOYSA-N
XLogP2.33
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 47866
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Prometon
CID 4928
Prometryn
CID 4929
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Atraton
CID 15359
Terbumeton
CID 36584

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 21623) is 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VHYSDRYXGKFTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tri(propan-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).