4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine

C12H21N5 — CID 80788881

IUPAC4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(c1cc(N)nc(N)n1)C1CCCCCC1
InChIInChI=1S/C12H21N5/c1-17(9-6-4-2-3-5-7-9)11-8-10(13)15-12(14)16-11/h8-9H,2-7H2,1H3,(H4,13,14,15,16)
InChIKeyKSYPWAZGSUYHIF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds2

About 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine

4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80788881) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80788881
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(c1cc(N)nc(N)n1)C1CCCCCC1
InChIInChI=1S/C12H21N5/c1-17(9-6-4-2-3-5-7-9)11-8-10(13)15-12(14)16-11/h8-9H,2-7H2,1H3,(H4,13,14,15,16)
InChIKeyKSYPWAZGSUYHIF-UHFFFAOYSA-N
XLogP1.80
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine (CID 80788881) is 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine is CN(c1cc(N)nc(N)n1)C1CCCCCC1.
What is the InChIKey of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is KSYPWAZGSUYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-17(9-6-4-2-3-5-7-9)11-8-10(13)15-12(14)16-11/h8-9H,2-7H2,1H3,(H4,13,14,15,16).
What are the key properties of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80788881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).