4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine

C14H25N5 — CID 80840975

IUPAC4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CC(C)CC(C)C2)nc(N)n1
InChIInChI=1S/C14H25N5/c1-4-16-12-8-13(19-14(15)18-12)17-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyZBTVZSWEQHBLOS-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.73
Rot. Bonds4

About 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80840975) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80840975
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CC(C)CC(C)C2)nc(N)n1
InChIInChI=1S/C14H25N5/c1-4-16-12-8-13(19-14(15)18-12)17-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyZBTVZSWEQHBLOS-UHFFFAOYSA-N
XLogP2.73
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80840975) is 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NC2CC(C)CC(C)C2)nc(N)n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is ZBTVZSWEQHBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-16-12-8-13(19-14(15)18-12)17-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 263.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80840975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).