7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine

C18H23N5O — CID 658668

IUPAC7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
SMILESCCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1
InChIInChI=1S/C18H23N5O/c1-6-24-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-10H,6H2,1-5H3,(H2,19,20,21,22,23)
InChIKeySNGZYDWWLUKFQC-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.39
Rot. Bonds3

About 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine

7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine (PubChem CID 658668) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
PubChem CID658668
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
SMILESCCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1
InChIInChI=1S/C18H23N5O/c1-6-24-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-10H,6H2,1-5H3,(H2,19,20,21,22,23)
InChIKeySNGZYDWWLUKFQC-UHFFFAOYSA-N
XLogP3.39
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_B(2)', 'substructure': 'N/A'}

Analyze 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
The IUPAC name of 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine (CID 658668) is 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
The canonical SMILES for 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine is CCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1.
What is the InChIKey of 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
The InChIKey is SNGZYDWWLUKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-6-24-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-10H,6H2,1-5H3,(H2,19,20,21,22,23).
What are the key properties of 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 658668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).