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

C19H26N4 — CID 46228418

IUPAC2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-15-13-18(21-17-11-7-4-8-12-17)22-19(20-15)23(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,20,21,22)
InChIKeyGTQLSDDNQDRTKU-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.17
Rot. Bonds5

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

2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 46228418) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID46228418
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-15-13-18(21-17-11-7-4-8-12-17)22-19(20-15)23(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,20,21,22)
InChIKeyGTQLSDDNQDRTKU-UHFFFAOYSA-N
XLogP4.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
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,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine (CID 46228418) is 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is GTQLSDDNQDRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-13-18(21-17-11-7-4-8-12-17)22-19(20-15)23(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,20,21,22).
What are the key properties of 2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclohexyl-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 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,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 46228418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).