2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine

C20H28N4 — CID 46225984

IUPAC2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)C2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H28N4/c1-16-14-19(24(3)18-12-8-5-9-13-18)22-20(21-16)23(2)15-17-10-6-4-7-11-17/h4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1-3H3
InChIKeyBILZCTLOPQITRA-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.19
Rot. Bonds5

About 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine

2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine (PubChem CID 46225984) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
PubChem CID46225984
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)C2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H28N4/c1-16-14-19(24(3)18-12-8-5-9-13-18)22-20(21-16)23(2)15-17-10-6-4-7-11-17/h4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1-3H3
InChIKeyBILZCTLOPQITRA-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine (CID 46225984) is 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine is Cc1cc(N(C)C2CCCCC2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The InChIKey is BILZCTLOPQITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16-14-19(24(3)18-12-8-5-9-13-18)22-20(21-16)23(2)15-17-10-6-4-7-11-17/h4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1-3H3.
What are the key properties of 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclohexyl-2-N,4-N,6-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).