5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine

C18H18N4O3S — CID 15987565

IUPAC5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C)nc(N)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-20-17(19)16(26(23,24)15-6-4-3-5-7-15)18(21-12)22-13-8-10-14(25-2)11-9-13/h3-11H,1-2H3,(H3,19,20,21,22)
InChIKeyOVZCVNHDCQYQDZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.95
Rot. Bonds5

About 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine

5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 15987565) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID15987565
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C)nc(N)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-20-17(19)16(26(23,24)15-6-4-3-5-7-15)18(21-12)22-13-8-10-14(25-2)11-9-13/h3-11H,1-2H3,(H3,19,20,21,22)
InChIKeyOVZCVNHDCQYQDZ-UHFFFAOYSA-N
XLogP2.95
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 15987565) is 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is COc1ccc(Nc2nc(C)nc(N)c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is OVZCVNHDCQYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-20-17(19)16(26(23,24)15-6-4-3-5-7-15)18(21-12)22-13-8-10-14(25-2)11-9-13/h3-11H,1-2H3,(H3,19,20,21,22).
What are the key properties of 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 370.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 15987565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).