2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

C20H21N5O2 — CID 122261996

IUPAC2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)NCc2cc(-c3ccccc3)ncn2)cn1
InChIInChI=1S/C20H21N5O2/c1-14(2)17-9-20(27)25(13-24-17)11-19(26)21-10-16-8-18(23-12-22-16)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,26)
InChIKeyXSEHOMFJVLLKNH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.14
Rot. Bonds6

About 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122261996) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
PubChem CID122261996
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)NCc2cc(-c3ccccc3)ncn2)cn1
InChIInChI=1S/C20H21N5O2/c1-14(2)17-9-20(27)25(13-24-17)11-19(26)21-10-16-8-18(23-12-22-16)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,26)
InChIKeyXSEHOMFJVLLKNH-UHFFFAOYSA-N
XLogP2.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 122262494
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261950
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 93477848
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063662
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 121123701
2-benzylsulfanyl-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261968
2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (CID 122261996) is 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is CC(C)c1cc(=O)n(CC(=O)NCc2cc(-c3ccccc3)ncn2)cn1.
What is the InChIKey of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is XSEHOMFJVLLKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(2)17-9-20(27)25(13-24-17)11-19(26)21-10-16-8-18(23-12-22-16)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,26).
What are the key properties of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122261996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).