4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine

C7H12N4 — CID 45092657

IUPAC4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C7H12N4/c1-4(2)6-9-5(3)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyFSXYDLJFFPKKKD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds1

About 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 45092657) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID45092657
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C7H12N4/c1-4(2)6-9-5(3)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyFSXYDLJFFPKKKD-UHFFFAOYSA-N
XLogP0.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 45092657) is 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine is Cc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is FSXYDLJFFPKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-4(2)6-9-5(3)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 152.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 45092657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).