2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide

C19H24N4O2S — CID 8731400

IUPAC2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1nc(C)cc(-c2ccccc2)n1
InChIInChI=1S/C19H24N4O2S/c1-4-10-20-17(24)12-23(3)18(25)13-26-19-21-14(2)11-16(22-19)15-8-6-5-7-9-15/h5-9,11H,4,10,12-13H2,1-3H3,(H,20,24)
InChIKeyKLBCEWMQXORVQX-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.53
Rot. Bonds8

About 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide

2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide (PubChem CID 8731400) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
PubChem CID8731400
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1nc(C)cc(-c2ccccc2)n1
InChIInChI=1S/C19H24N4O2S/c1-4-10-20-17(24)12-23(3)18(25)13-26-19-21-14(2)11-16(22-19)15-8-6-5-7-9-15/h5-9,11H,4,10,12-13H2,1-3H3,(H,20,24)
InChIKeyKLBCEWMQXORVQX-UHFFFAOYSA-N
XLogP2.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide (CID 8731400) is 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CSc1nc(C)cc(-c2ccccc2)n1.
What is the InChIKey of 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide?
The InChIKey is KLBCEWMQXORVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-4-10-20-17(24)12-23(3)18(25)13-26-19-21-14(2)11-16(22-19)15-8-6-5-7-9-15/h5-9,11H,4,10,12-13H2,1-3H3,(H,20,24).
What are the key properties of 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide?
2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide has a molecular weight of 372.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8731400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).