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

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

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Related Compounds

2-[4-[[4-[[(2E)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienyl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 131970144
ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylate
CID 79970426
2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 146124735
2-[4-[[4-[(2,6-difluoro-3-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 90024056
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 131970050
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate
CID 66285222
2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 58168035
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 39759075

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).