N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide

C17H21N5O3 — CID 135451371

IUPACN-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCOc1ccc(OC)c(N/C(=N/c2nc(C)cc(C)n2)NC(C)=O)c1
InChIInChI=1S/C17H21N5O3/c1-10-8-11(2)19-16(18-10)22-17(20-12(3)23)21-14-9-13(24-4)6-7-15(14)25-5/h6-9H,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyPOMPDLGXCLLJET-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.35
Rot. Bonds4

About N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide

N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (PubChem CID 135451371) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
PubChem CID135451371
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCOc1ccc(OC)c(N/C(=N/c2nc(C)cc(C)n2)NC(C)=O)c1
InChIInChI=1S/C17H21N5O3/c1-10-8-11(2)19-16(18-10)22-17(20-12(3)23)21-14-9-13(24-4)6-7-15(14)25-5/h6-9H,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyPOMPDLGXCLLJET-UHFFFAOYSA-N
XLogP2.35
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (CID 135451371) is N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is COc1ccc(OC)c(N/C(=N/c2nc(C)cc(C)n2)NC(C)=O)c1.
What is the InChIKey of N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The InChIKey is POMPDLGXCLLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10-8-11(2)19-16(18-10)22-17(20-12(3)23)21-14-9-13(24-4)6-7-15(14)25-5/h6-9H,1-5H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-(2,5-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 135451371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).