6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine

C8H13N5 — CID 130532599

IUPAC6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC2CC2C)n1
InChIInChI=1S/C8H13N5/c1-4-3-6(4)12-8-11-5(2)10-7(9)13-8/h4,6H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyULPGXIFNXYNUJX-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.58
Rot. Bonds2

About 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine

6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532599) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
PubChem CID130532599
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC2CC2C)n1
InChIInChI=1S/C8H13N5/c1-4-3-6(4)12-8-11-5(2)10-7(9)13-8/h4,6H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyULPGXIFNXYNUJX-UHFFFAOYSA-N
XLogP0.58
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine (CID 130532599) is 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NC2CC2C)n1.
What is the InChIKey of 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ULPGXIFNXYNUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-4-3-6(4)12-8-11-5(2)10-7(9)13-8/h4,6H,3H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 179.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).