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

C9H17N5 — CID 22486966

IUPAC2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C9H17N5/c1-5(2)7-12-8(10)14-9(13-7)11-6(3)4/h5-6H,1-4H3,(H3,10,11,12,13,14)
InChIKeyPAQLLYXCWRJRBG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.40
Rot. Bonds3

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

2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 22486966) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID22486966
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C9H17N5/c1-5(2)7-12-8(10)14-9(13-7)11-6(3)4/h5-6H,1-4H3,(H3,10,11,12,13,14)
InChIKeyPAQLLYXCWRJRBG-UHFFFAOYSA-N
XLogP1.40
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 22486966) is 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PAQLLYXCWRJRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-5(2)7-12-8(10)14-9(13-7)11-6(3)4/h5-6H,1-4H3,(H3,10,11,12,13,14).
What are the key properties of 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22486966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).