4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine

C19H25N9OS — CID 58985726

IUPAC4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine
SMILES[H]N=S(C)(=O)c1ccc(Nc2ncc(-c3nnn(C)n3)c(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H25N9OS/c1-28-26-18(25-27-28)16-12-21-19(24-17(16)22-13-6-4-3-5-7-13)23-14-8-10-15(11-9-14)30(2,20)29/h8-13,20H,3-7H2,1-2H3,(H2,21,22,23,24)
InChIKeyKVHGAWLNHRAMCY-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.19
Rot. Bonds6

About 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 58985726) has the molecular formula C19H25N9OS and a molecular weight of 427.54 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine
PubChem CID58985726
Molecular FormulaC19H25N9OS
Molecular Weight427.54 g/mol
Exact Mass427.19
IUPAC Name4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine
SMILES[H]N=S(C)(=O)c1ccc(Nc2ncc(-c3nnn(C)n3)c(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H25N9OS/c1-28-26-18(25-27-28)16-12-21-19(24-17(16)22-13-6-4-3-5-7-13)23-14-8-10-15(11-9-14)30(2,20)29/h8-13,20H,3-7H2,1-2H3,(H2,21,22,23,24)
InChIKeyKVHGAWLNHRAMCY-UHFFFAOYSA-N
XLogP3.19
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(1-methyltetrazol-5-yl)pyrimidine-2,4-diamine
CID 58985703
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone
CID 67678495
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
4-(cyclobutylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014823
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
4-(cyclopropylamino)-2-[4-(2-methoxyethylsulfamoyl)anilino]pyrimidine-5-carboxamide
CID 58014791
4-[[4-(cyclopentylamino)-5-nitropyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 118734735
5-chloro-4-(1H-indol-3-yl)-N-[4-(methylsulfonimidoyl)phenyl]pyrimidin-2-amine
CID 156576120
(E)-3-[4-(cyclohexylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]prop-2-enenitrile
CID 90466629
4-[[4-(cyclopentylamino)-5-ethylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 141496188

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine (CID 58985726) is 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine is [H]N=S(C)(=O)c1ccc(Nc2ncc(-c3nnn(C)n3)c(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is KVHGAWLNHRAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9OS/c1-28-26-18(25-27-28)16-12-21-19(24-17(16)22-13-6-4-3-5-7-13)23-14-8-10-15(11-9-14)30(2,20)29/h8-13,20H,3-7H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 427.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-[4-(methylsulfonimidoyl)phenyl]-5-(2-methyltetrazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).