2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C17H25N5O3 — CID 46999441

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C17H25N5O3/c1-10(2)22(8-14-12(4)19-20(6)13(14)5)15(23)9-21-7-11(3)16(24)18-17(21)25/h7,10H,8-9H2,1-6H3,(H,18,24,25)
InChIKeyFMQMFYPETHYWKZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.63
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 46999441) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID46999441
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C17H25N5O3/c1-10(2)22(8-14-12(4)19-20(6)13(14)5)15(23)9-21-7-11(3)16(24)18-17(21)25/h7,10H,8-9H2,1-6H3,(H,18,24,25)
InChIKeyFMQMFYPETHYWKZ-UHFFFAOYSA-N
XLogP0.63
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 46999441) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(C)C.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is FMQMFYPETHYWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10(2)22(8-14-12(4)19-20(6)13(14)5)15(23)9-21-7-11(3)16(24)18-17(21)25/h7,10H,8-9H2,1-6H3,(H,18,24,25).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 46999441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).