6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide

C19H25N5O2S — CID 59447103

IUPAC6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
SMILESC=S(C)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H25N5O2S/c1-27(2,26)24-16-10-8-15(9-11-16)23-19(25)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,1,3-7H2,2H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyDFARZKLWQZLAFW-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.15
Rot. Bonds6

About 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide (PubChem CID 59447103) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
PubChem CID59447103
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
SMILESC=S(C)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H25N5O2S/c1-27(2,26)24-16-10-8-15(9-11-16)23-19(25)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,1,3-7H2,2H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyDFARZKLWQZLAFW-UHFFFAOYSA-N
XLogP3.15
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341303
N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341311

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide (CID 59447103) is 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide is C=S(C)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide?
The InChIKey is DFARZKLWQZLAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-27(2,26)24-16-10-8-15(9-11-16)23-19(25)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,1,3-7H2,2H3,(H,23,25)(H,24,26)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59447103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).