2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C12H24N6 — CID 1119846

IUPAC2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H24N6/c1-7-13-9-15-10(14-8(2)3)17-11(16-9)18-12(4,5)6/h8H,7H2,1-6H3,(H3,13,14,15,16,17,18)
InChIKeyAPYGAJCXDCLDTA-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.33
Rot. Bonds5

About 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 1119846) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID1119846
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H24N6/c1-7-13-9-15-10(14-8(2)3)17-11(16-9)18-12(4,5)6/h8H,7H2,1-6H3,(H3,13,14,15,16,17,18)
InChIKeyAPYGAJCXDCLDTA-UHFFFAOYSA-N
XLogP2.33
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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

Cyromazine
CID 47866
Cyanazine
CID 30773
Terbuthylazine
CID 22206
Atrazine
CID 2256
Terbutryn
CID 13450
Prometon
CID 4928
Propazine
CID 4937
Deethylatrazine
CID 22563
Atraton
CID 15359
Terbumeton
CID 36584
Secbumeton
CID 33443
Cyprazine
CID 24738

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 1119846) is 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NC(C)C)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is APYGAJCXDCLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-7-13-9-15-10(14-8(2)3)17-11(16-9)18-12(4,5)6/h8H,7H2,1-6H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-N-ethyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 1119846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).