N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide

C15H19N5O2 — CID 50976033

IUPACN-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide
SMILESCNc1ccnc(NCC(=O)Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C15H19N5O2/c1-10-4-5-12(22-3)11(8-10)19-14(21)9-18-15-17-7-6-13(16-2)20-15/h4-8H,9H2,1-3H3,(H,19,21)(H2,16,17,18,20)
InChIKeyOEJSWALIKCDSIW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.89
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide (PubChem CID 50976033) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide
PubChem CID50976033
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide
SMILESCNc1ccnc(NCC(=O)Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C15H19N5O2/c1-10-4-5-12(22-3)11(8-10)19-14(21)9-18-15-17-7-6-13(16-2)20-15/h4-8H,9H2,1-3H3,(H,19,21)(H2,16,17,18,20)
InChIKeyOEJSWALIKCDSIW-UHFFFAOYSA-N
XLogP1.89
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide (CID 50976033) is N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide is CNc1ccnc(NCC(=O)Nc2cc(C)ccc2OC)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide?
The InChIKey is OEJSWALIKCDSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-4-5-12(22-3)11(8-10)19-14(21)9-18-15-17-7-6-13(16-2)20-15/h4-8H,9H2,1-3H3,(H,19,21)(H2,16,17,18,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[4-(methylamino)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 50976033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).