N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide

C17H21N5O2 — CID 135536869

IUPACN-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide
SMILESCCOc1ccccc1NC(=Nc1nc(C)cc(C)n1)NC(C)=O
InChIInChI=1S/C17H21N5O2/c1-5-24-15-9-7-6-8-14(15)21-17(20-13(4)23)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)
InChIKeyQTYCBKHVAWOSJP-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.73
Rot. Bonds4

About N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide

N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide (PubChem CID 135536869) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide
PubChem CID135536869
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide
SMILESCCOc1ccccc1NC(=Nc1nc(C)cc(C)n1)NC(C)=O
InChIInChI=1S/C17H21N5O2/c1-5-24-15-9-7-6-8-14(15)21-17(20-13(4)23)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)
InChIKeyQTYCBKHVAWOSJP-UHFFFAOYSA-N
XLogP2.73
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide?
The IUPAC name of N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide (CID 135536869) is N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide is CCOc1ccccc1NC(=Nc1nc(C)cc(C)n1)NC(C)=O.
What is the InChIKey of N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide?
The InChIKey is QTYCBKHVAWOSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-5-24-15-9-7-6-8-14(15)21-17(20-13(4)23)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide?
N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide is sourced from PubChem (CID 135536869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).