N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide

C13H15N5O2 — CID 135637427

IUPACN-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCOc1ccc2nc(/N=C(\N)NC(C)=O)nc(C)c2c1
InChIInChI=1S/C13H15N5O2/c1-7-10-6-9(20-3)4-5-11(10)17-13(15-7)18-12(14)16-8(2)19/h4-6H,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyYUXTZVBAFNAHRN-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.03
Rot. Bonds2

About N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide

N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide (PubChem CID 135637427) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
PubChem CID135637427
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCOc1ccc2nc(/N=C(\N)NC(C)=O)nc(C)c2c1
InChIInChI=1S/C13H15N5O2/c1-7-10-6-9(20-3)4-5-11(10)17-13(15-7)18-12(14)16-8(2)19/h4-6H,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyYUXTZVBAFNAHRN-UHFFFAOYSA-N
XLogP1.03
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.03
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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Related Compounds

N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
CID 135492108
N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
ethyl 3-hydroxy-2-[N'-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]carbamimidoyl]-3-phenylprop-2-enoate
CID 135520920
1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135452734
1-cyclohexyl-3-[(E)-N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135546025
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 137247508
2-[N-[N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid
CID 5173293

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide (CID 135637427) is N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide is COc1ccc2nc(/N=C(\N)NC(C)=O)nc(C)c2c1.
What is the InChIKey of N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The InChIKey is YUXTZVBAFNAHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-7-10-6-9(20-3)4-5-11(10)17-13(15-7)18-12(14)16-8(2)19/h4-6H,1-3H3,(H3,14,15,16,17,18,19).
What are the key properties of N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide has a molecular weight of 273.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 135637427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).