2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide

C12H16N6O2 — CID 90023254

IUPAC2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(Nc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C12H16N6O2/c1-8(2)15-11(20)7-18-6-9(5-14-18)16-12-13-4-3-10(19)17-12/h3-6,8H,7H2,1-2H3,(H,15,20)(H2,13,16,17,19)
InChIKeyBPRQHSZDTOKIHL-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.23
Rot. Bonds5

About 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide

2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90023254) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90023254
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(Nc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C12H16N6O2/c1-8(2)15-11(20)7-18-6-9(5-14-18)16-12-13-4-3-10(19)17-12/h3-6,8H,7H2,1-2H3,(H,15,20)(H2,13,16,17,19)
InChIKeyBPRQHSZDTOKIHL-UHFFFAOYSA-N
XLogP0.23
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide (CID 90023254) is 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(Nc2nccc(=O)[nH]2)cn1.
What is the InChIKey of 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is BPRQHSZDTOKIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8(2)15-11(20)7-18-6-9(5-14-18)16-12-13-4-3-10(19)17-12/h3-6,8H,7H2,1-2H3,(H,15,20)(H2,13,16,17,19).
What are the key properties of 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide?
2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 276.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90023254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).