[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate

C19H22N8O3 — CID 55999660

IUPAC[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CCNc2ncccn2)n1
InChIInChI=1S/C19H22N8O3/c1-12-9-13(2)24-19(23-12)27-15(10-14(3)26-27)25-16(28)11-30-17(29)5-8-22-18-20-6-4-7-21-18/h4,6-7,9-10H,5,8,11H2,1-3H3,(H,25,28)(H,20,21,22)
InChIKeyWWORFFUGUROUBH-UHFFFAOYSA-N
MW410.44 g/mol
LogP1.36
Rot. Bonds8

About [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate

[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate (PubChem CID 55999660) has the molecular formula C19H22N8O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate.

Molecular Properties

Compound Name[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
PubChem CID55999660
Molecular FormulaC19H22N8O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CCNc2ncccn2)n1
InChIInChI=1S/C19H22N8O3/c1-12-9-13(2)24-19(23-12)27-15(10-14(3)26-27)25-16(28)11-30-17(29)5-8-22-18-20-6-4-7-21-18/h4,6-7,9-10H,5,8,11H2,1-3H3,(H,25,28)(H,20,21,22)
InChIKeyWWORFFUGUROUBH-UHFFFAOYSA-N
XLogP1.36
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 55368214
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 29349722
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704157
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-nitrophenoxy)acetamide
CID 17416315
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 16558954
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(2-chlorophenyl)prop-2-enoate
CID 3273099
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(methylsulfinylmethyl)benzoate
CID 55497507
methyl (2R)-2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]amino]-3,3-dimethylbutanoate
CID 96536664
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195163
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55467634
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55925666

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The IUPAC name of [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate (CID 55999660) is [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate.
What is the SMILES notation for [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The canonical SMILES for [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CCNc2ncccn2)n1.
What is the InChIKey of [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The InChIKey is WWORFFUGUROUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3/c1-12-9-13(2)24-19(23-12)27-15(10-14(3)26-27)25-16(28)11-30-17(29)5-8-22-18-20-6-4-7-21-18/h4,6-7,9-10H,5,8,11H2,1-3H3,(H,25,28)(H,20,21,22).
What are the key properties of [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate has a molecular weight of 410.44 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate is sourced from PubChem (CID 55999660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).