6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C8H17N5 — CID 21027234

IUPAC6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC(C)C1N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C8H17N5/c1-5(2)6-10-7(9)12-8(11-6)13(3)4/h5-6H,1-4H3,(H3,9,10,11,12)
InChIKeyNXRLFJUFVNJZTR-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.20
Rot. Bonds1

About 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 21027234) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID21027234
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC(C)C1N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C8H17N5/c1-5(2)6-10-7(9)12-8(11-6)13(3)4/h5-6H,1-4H3,(H3,9,10,11,12)
InChIKeyNXRLFJUFVNJZTR-UHFFFAOYSA-N
XLogP-0.20
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 21027234) is 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC(C)C1N=C(N)NC(N(C)C)=N1.
What is the InChIKey of 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is NXRLFJUFVNJZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-5(2)6-10-7(9)12-8(11-6)13(3)4/h5-6H,1-4H3,(H3,9,10,11,12).
What are the key properties of 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 183.26 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 21027234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).