2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine

C18H24N4O2S — CID 53336128

IUPAC2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-8-10-15(11-9-13)25(23,24)16-12-20-18(21-17(16)19)22(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,19,20,21)
InChIKeyQHXGPIVCHQTHGQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.97
Rot. Bonds4

About 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine

2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine (PubChem CID 53336128) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
PubChem CID53336128
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-8-10-15(11-9-13)25(23,24)16-12-20-18(21-17(16)19)22(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,19,20,21)
InChIKeyQHXGPIVCHQTHGQ-UHFFFAOYSA-N
XLogP2.97
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine (CID 53336128) is 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine is Cc1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1.
What is the InChIKey of 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The InChIKey is QHXGPIVCHQTHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-8-10-15(11-9-13)25(23,24)16-12-20-18(21-17(16)19)22(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine?
2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine has a molecular weight of 360.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 53336128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).