methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate

C19H23N5O3 — CID 134798447

IUPACmethyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1c1nccc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)22-16-9-10-20-19(23-16)24-11-3-4-15(24)18(26)21-12-17(25)27-2/h5-10,15H,3-4,11-12H2,1-2H3,(H,21,26)(H,20,22,23)
InChIKeyVVSDTXLLBDZNMW-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.79
Rot. Bonds6

About methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate

methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 134798447) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate
PubChem CID134798447
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Namemethyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1c1nccc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)22-16-9-10-20-19(23-16)24-11-3-4-15(24)18(26)21-12-17(25)27-2/h5-10,15H,3-4,11-12H2,1-2H3,(H,21,26)(H,20,22,23)
InChIKeyVVSDTXLLBDZNMW-UHFFFAOYSA-N
XLogP1.79
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate (CID 134798447) is methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCCN1c1nccc(Nc2ccc(C)cc2)n1.
What is the InChIKey of methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is VVSDTXLLBDZNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)22-16-9-10-20-19(23-16)24-11-3-4-15(24)18(26)21-12-17(25)27-2/h5-10,15H,3-4,11-12H2,1-2H3,(H,21,26)(H,20,22,23).
What are the key properties of methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate?
methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 369.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 134798447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).