methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate

C15H18N4O2 — CID 80798568

IUPACmethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate
SMILESCNc1ncc(C)c(NC(C(=O)OC)c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-10-9-17-15(16-2)19-13(10)18-12(14(20)21-3)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H2,16,17,18,19)
InChIKeyPXZPVCYRZZKDBN-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.15
Rot. Bonds5

About methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate

methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate (PubChem CID 80798568) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate
PubChem CID80798568
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Namemethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate
SMILESCNc1ncc(C)c(NC(C(=O)OC)c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-10-9-17-15(16-2)19-13(10)18-12(14(20)21-3)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H2,16,17,18,19)
InChIKeyPXZPVCYRZZKDBN-UHFFFAOYSA-N
XLogP2.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 80904163
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2-phenylacetate
CID 106997695
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
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 (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
CID 62111309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate (CID 80798568) is methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate is CNc1ncc(C)c(NC(C(=O)OC)c2ccccc2)n1.
What is the InChIKey of methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate?
The InChIKey is PXZPVCYRZZKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-17-15(16-2)19-13(10)18-12(14(20)21-3)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H2,16,17,18,19).
What are the key properties of methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate?
methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate has a molecular weight of 286.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate is sourced from PubChem (CID 80798568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).