2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide

C19H20N6O2 — CID 126853801

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2cc(CNC(=O)Cn3cnc(C4CC4)cc3=O)ccn2)cn1
InChIInChI=1S/C19H20N6O2/c1-24-10-15(9-23-24)16-6-13(4-5-20-16)8-21-18(26)11-25-12-22-17(7-19(25)27)14-2-3-14/h4-7,9-10,12,14H,2-3,8,11H2,1H3,(H,21,26)
InChIKeyXEDCEOBVPFTBNJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.23
Rot. Bonds6

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide (PubChem CID 126853801) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
PubChem CID126853801
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2cc(CNC(=O)Cn3cnc(C4CC4)cc3=O)ccn2)cn1
InChIInChI=1S/C19H20N6O2/c1-24-10-15(9-23-24)16-6-13(4-5-20-16)8-21-18(26)11-25-12-22-17(7-19(25)27)14-2-3-14/h4-7,9-10,12,14H,2-3,8,11H2,1H3,(H,21,26)
InChIKeyXEDCEOBVPFTBNJ-UHFFFAOYSA-N
XLogP1.23
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide (CID 126853801) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide is Cn1cc(-c2cc(CNC(=O)Cn3cnc(C4CC4)cc3=O)ccn2)cn1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide?
The InChIKey is XEDCEOBVPFTBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-24-10-15(9-23-24)16-6-13(4-5-20-16)8-21-18(26)11-25-12-22-17(7-19(25)27)14-2-3-14/h4-7,9-10,12,14H,2-3,8,11H2,1H3,(H,21,26).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 126853801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).