2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

C16H18N4OS — CID 43028761

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cc(N)nc(SC(C)C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H18N4OS/c1-10-9-14(17)19-16(18-10)22-11(2)15(21)20-8-7-12-5-3-4-6-13(12)20/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyNBCIIJJJMIJBOE-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.44
Rot. Bonds3

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 43028761) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID43028761
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cc(N)nc(SC(C)C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H18N4OS/c1-10-9-14(17)19-16(18-10)22-11(2)15(21)20-8-7-12-5-3-4-6-13(12)20/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyNBCIIJJJMIJBOE-UHFFFAOYSA-N
XLogP2.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropan-1-one
CID 51113371
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819311
(2S)-1-(2,3-dihydroindol-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755063
1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
CID 4819310
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819296
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819371
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-one
CID 56817062
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-1-one
CID 7262767
(2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 43028761) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is Cc1cc(N)nc(SC(C)C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is NBCIIJJJMIJBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-10-9-14(17)19-16(18-10)22-11(2)15(21)20-8-7-12-5-3-4-6-13(12)20/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 314.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 43028761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).