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

C18H24N4 — CID 697226

IUPAC2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)
InChIKeyGDKCAAWSNQLXNX-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.14
Rot. Bonds5

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

2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (PubChem CID 697226) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
PubChem CID697226
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)
InChIKeyGDKCAAWSNQLXNX-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (CID 697226) is 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is GDKCAAWSNQLXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 697226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).