2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

C18H17N5O2 — CID 122261950

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2cc(-c3ccccc3)ncn2)cn1
InChIInChI=1S/C18H17N5O2/c1-13-7-18(25)23(12-22-13)10-17(24)19-9-15-8-16(21-11-20-15)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,24)
InChIKeyXLUAIDFTNTXJFD-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.33
Rot. Bonds5

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122261950) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
PubChem CID122261950
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2cc(-c3ccccc3)ncn2)cn1
InChIInChI=1S/C18H17N5O2/c1-13-7-18(25)23(12-22-13)10-17(24)19-9-15-8-16(21-11-20-15)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,24)
InChIKeyXLUAIDFTNTXJFD-UHFFFAOYSA-N
XLogP1.33
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261996
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 122262494
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063662
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063696
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (CID 122261950) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is Cc1cc(=O)n(CC(=O)NCc2cc(-c3ccccc3)ncn2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is XLUAIDFTNTXJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-7-18(25)23(12-22-13)10-17(24)19-9-15-8-16(21-11-20-15)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,24).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).