N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide

C16H21N5O2 — CID 135492108

IUPACN-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(N=C(N)NC(=O)C(C)(C)C)nc(C)c2c1
InChIInChI=1S/C16H21N5O2/c1-9-11-8-10(23-5)6-7-12(11)19-15(18-9)21-14(17)20-13(22)16(2,3)4/h6-8H,1-5H3,(H3,17,18,19,20,21,22)
InChIKeyIBRLPLZKOFPXPC-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.06
Rot. Bonds2

About N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide

N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide (PubChem CID 135492108) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
PubChem CID135492108
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(N=C(N)NC(=O)C(C)(C)C)nc(C)c2c1
InChIInChI=1S/C16H21N5O2/c1-9-11-8-10(23-5)6-7-12(11)19-15(18-9)21-14(17)20-13(22)16(2,3)4/h6-8H,1-5H3,(H3,17,18,19,20,21,22)
InChIKeyIBRLPLZKOFPXPC-UHFFFAOYSA-N
XLogP2.06
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.06
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-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135637427
N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
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-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918
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-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide (CID 135492108) is N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide is COc1ccc2nc(N=C(N)NC(=O)C(C)(C)C)nc(C)c2c1.
What is the InChIKey of N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide?
The InChIKey is IBRLPLZKOFPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9-11-8-10(23-5)6-7-12(11)19-15(18-9)21-14(17)20-13(22)16(2,3)4/h6-8H,1-5H3,(H3,17,18,19,20,21,22).
What are the key properties of N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide?
N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide has a molecular weight of 315.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135492108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).