4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C21H22N4OS2 — CID 15979333

IUPAC4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(NCc2ccccc2)nc(SC)nc1SCc1ccccc1
InChIInChI=1S/C21H22N4OS2/c1-22-19(26)17-18(23-13-15-9-5-3-6-10-15)24-21(27-2)25-20(17)28-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyYENLLXXRYYROIU-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.46
Rot. Bonds8

About 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide

4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 15979333) has the molecular formula C21H22N4OS2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID15979333
Molecular FormulaC21H22N4OS2
Molecular Weight410.57 g/mol
Exact Mass410.12
IUPAC Name4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(NCc2ccccc2)nc(SC)nc1SCc1ccccc1
InChIInChI=1S/C21H22N4OS2/c1-22-19(26)17-18(23-13-15-9-5-3-6-10-15)24-21(27-2)25-20(17)28-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyYENLLXXRYYROIU-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzylsulfanyl-6-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 15979457
4-benzylsulfanyl-2-methylsulfanyl-6-(2-phenylethylamino)pyrimidine-5-carboxylic acid
CID 46854265
4-benzylsulfanyl-2-methylsulfanyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 15979338
N-benzyl-4-chloro-2-methylsulfanyl-6-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 15979683
4-anilino-N-benzyl-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide
CID 15979579
7-(benzylamino)-5-benzylsulfanylthieno[3,2-b]pyridine-6-carboxylic acid
CID 15951100
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337
4-(benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile
CID 2767509
N-benzyl-3-benzylsulfanyl-1,2,4-thiadiazol-5-amine
CID 110826182
2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 139230796
2,6-bis(benzylsulfanyl)-7,9-dihydropurin-8-one
CID 135397847
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 15979333) is 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CNC(=O)c1c(NCc2ccccc2)nc(SC)nc1SCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is YENLLXXRYYROIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS2/c1-22-19(26)17-18(23-13-15-9-5-3-6-10-15)24-21(27-2)25-20(17)28-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-benzylsulfanyl-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 15979333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).