methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate

C14H15N3O2 — CID 62785286

IUPACmethyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1ccnc(C)n1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-10-15-9-8-12(16-10)17-13(14(18)19-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,15,16,17)
InChIKeyNXSWNQZRIYKFNP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate

methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate (PubChem CID 62785286) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
PubChem CID62785286
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1ccnc(C)n1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-10-15-9-8-12(16-10)17-13(14(18)19-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,15,16,17)
InChIKeyNXSWNQZRIYKFNP-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
CID 62111309
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
CID 62939898
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 80904163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate (CID 62785286) is methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate is COC(=O)C(Nc1ccnc(C)n1)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate?
The InChIKey is NXSWNQZRIYKFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-15-9-8-12(16-10)17-13(14(18)19-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,15,16,17).
What are the key properties of methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate?
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate has a molecular weight of 257.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate is sourced from PubChem (CID 62785286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).