2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide

C18H20N4O2 — CID 92565431

IUPAC2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cnc(C)nc1-c1cn(C)c2ccccc12
InChIInChI=1S/C18H20N4O2/c1-12-19-8-13(9-20-17(23)11-24-3)18(21-12)15-10-22(2)16-7-5-4-6-14(15)16/h4-8,10H,9,11H2,1-3H3,(H,20,23)
InChIKeyBMPGGOOGKLAXOR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.21
Rot. Bonds5

About 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide

2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide (PubChem CID 92565431) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
PubChem CID92565431
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cnc(C)nc1-c1cn(C)c2ccccc12
InChIInChI=1S/C18H20N4O2/c1-12-19-8-13(9-20-17(23)11-24-3)18(21-12)15-10-22(2)16-7-5-4-6-14(15)16/h4-8,10H,9,11H2,1-3H3,(H,20,23)
InChIKeyBMPGGOOGKLAXOR-UHFFFAOYSA-N
XLogP2.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide (CID 92565431) is 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide is COCC(=O)NCc1cnc(C)nc1-c1cn(C)c2ccccc12.
What is the InChIKey of 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide?
The InChIKey is BMPGGOOGKLAXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-19-8-13(9-20-17(23)11-24-3)18(21-12)15-10-22(2)16-7-5-4-6-14(15)16/h4-8,10H,9,11H2,1-3H3,(H,20,23).
What are the key properties of 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide?
2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 92565431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).