methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate

C15H17N3O2 — CID 62109290

IUPACmethyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
SMILESCCc1cc(NC(C(=O)OC)c2ccccc2)ncn1
InChIInChI=1S/C15H17N3O2/c1-3-12-9-13(17-10-16-12)18-14(15(19)20-2)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H,16,17,18)
InChIKeyBGXILWHNLGKCJD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds5

About methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate

methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate (PubChem CID 62109290) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
PubChem CID62109290
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
SMILESCCc1cc(NC(C(=O)OC)c2ccccc2)ncn1
InChIInChI=1S/C15H17N3O2/c1-3-12-9-13(17-10-16-12)18-14(15(19)20-2)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H,16,17,18)
InChIKeyBGXILWHNLGKCJD-UHFFFAOYSA-N
XLogP2.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
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 (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
CID 61234394
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 62108953
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate (CID 62109290) is methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate is CCc1cc(NC(C(=O)OC)c2ccccc2)ncn1.
What is the InChIKey of methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate?
The InChIKey is BGXILWHNLGKCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-12-9-13(17-10-16-12)18-14(15(19)20-2)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate?
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate has a molecular weight of 271.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate is sourced from PubChem (CID 62109290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).