2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide

C19H25N3OS — CID 43075451

IUPAC2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide
SMILESCc1cc(SC(C(=O)NC(C)C)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C19H25N3OS/c1-12(2)18-21-14(5)11-16(22-18)24-17(19(23)20-13(3)4)15-9-7-6-8-10-15/h6-13,17H,1-5H3,(H,20,23)
InChIKeyVQUNLAYMZJLJAV-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.27
Rot. Bonds6

About 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide

2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide (PubChem CID 43075451) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide
PubChem CID43075451
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide
SMILESCc1cc(SC(C(=O)NC(C)C)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C19H25N3OS/c1-12(2)18-21-14(5)11-16(22-18)24-17(19(23)20-13(3)4)15-9-7-6-8-10-15/h6-13,17H,1-5H3,(H,20,23)
InChIKeyVQUNLAYMZJLJAV-UHFFFAOYSA-N
XLogP4.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-[(S)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427660
2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 5066196
(2R)-2-[2-[(R)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427658
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
2-methyl-3-phenyl-N-propan-2-ylbutanamide
CID 134975619
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
CID 42888617
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40819742
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 42886823
2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 17415532
N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 3385592
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide (CID 43075451) is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide is Cc1cc(SC(C(=O)NC(C)C)c2ccccc2)nc(C(C)C)n1.
What is the InChIKey of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is VQUNLAYMZJLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-12(2)18-21-14(5)11-16(22-18)24-17(19(23)20-13(3)4)15-9-7-6-8-10-15/h6-13,17H,1-5H3,(H,20,23).
What are the key properties of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide?
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 343.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43075451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).