2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine

C11H20ClN5 — CID 3089147

IUPAC2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Nc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C11H20ClN5/c1-5-7(3)13-10-15-9(12)16-11(17-10)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyNTYCDOAJCGVIMP-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.95
Rot. Bonds6

About 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine

2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 3089147) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID3089147
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Nc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C11H20ClN5/c1-5-7(3)13-10-15-9(12)16-11(17-10)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyNTYCDOAJCGVIMP-UHFFFAOYSA-N
XLogP2.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Propazine
CID 4937
Deisopropylatrazine
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Deethylatrazine
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Atraton
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Secbumeton
CID 33443
Cyprazine
CID 24738

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine (CID 3089147) is 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine is CCC(C)Nc1nc(Cl)nc(NC(C)CC)n1.
What is the InChIKey of 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is NTYCDOAJCGVIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-5-7(3)13-10-15-9(12)16-11(17-10)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(butan-2-yl)-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3089147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).