6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C8H13N5 — CID 5049230

IUPAC6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(C2CC2)n1
InChIInChI=1S/C8H13N5/c1-13(2)8-11-6(5-3-4-5)10-7(9)12-8/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeySFPXQYOZUGOKSD-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.40
Rot. Bonds2

About 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 5049230) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID5049230
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(C2CC2)n1
InChIInChI=1S/C8H13N5/c1-13(2)8-11-6(5-3-4-5)10-7(9)12-8/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeySFPXQYOZUGOKSD-UHFFFAOYSA-N
XLogP0.40
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 5049230) is 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SFPXQYOZUGOKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-13(2)8-11-6(5-3-4-5)10-7(9)12-8/h5H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 179.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5049230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).