4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C7H13N5 — CID 53426409

IUPAC4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1ncnc(NC(C)C)n1
InChIInChI=1S/C7H13N5/c1-5(2)11-7-10-4-9-6(8-3)12-7/h4-5H,1-3H3,(H2,8,9,10,11,12)
InChIKeyVKAVFXSRILAEHV-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.73
Rot. Bonds3

About 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 53426409) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID53426409
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1ncnc(NC(C)C)n1
InChIInChI=1S/C7H13N5/c1-5(2)11-7-10-4-9-6(8-3)12-7/h4-5H,1-3H3,(H2,8,9,10,11,12)
InChIKeyVKAVFXSRILAEHV-UHFFFAOYSA-N
XLogP0.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 53426409) is 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CNc1ncnc(NC(C)C)n1.
What is the InChIKey of 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VKAVFXSRILAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-5(2)11-7-10-4-9-6(8-3)12-7/h4-5H,1-3H3,(H2,8,9,10,11,12).
What are the key properties of 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 53426409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).