4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine

C12H21N5 — CID 80761777

IUPAC4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)C2CCCCC2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-14-10-8-11(16-12(13)15-10)17(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyBDNDOGUSTVAJMZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds3

About 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine

4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine (PubChem CID 80761777) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
PubChem CID80761777
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)C2CCCCC2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-14-10-8-11(16-12(13)15-10)17(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyBDNDOGUSTVAJMZ-UHFFFAOYSA-N
XLogP1.87
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine (CID 80761777) is 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine is CNc1cc(N(C)C2CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
The InChIKey is BDNDOGUSTVAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-14-10-8-11(16-12(13)15-10)17(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine?
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80761777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).