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

C17H21N5O — CID 7339621

IUPAC7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
SMILESCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1
InChIInChI=1S/C17H21N5O/c1-10-9-17(3,4)22-16(18-10)21-15-19-11(2)13-7-6-12(23-5)8-14(13)20-15/h6-9H,1-5H3,(H2,18,19,20,21,22)
InChIKeyORXWCHTVPSOURF-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.00
Rot. Bonds2

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

7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine (PubChem CID 7339621) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
PubChem CID7339621
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
SMILESCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1
InChIInChI=1S/C17H21N5O/c1-10-9-17(3,4)22-16(18-10)21-15-19-11(2)13-7-6-12(23-5)8-14(13)20-15/h6-9H,1-5H3,(H2,18,19,20,21,22)
InChIKeyORXWCHTVPSOURF-UHFFFAOYSA-N
XLogP3.00
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
The IUPAC name of 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine (CID 7339621) is 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
The canonical SMILES for 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine is COc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1.
What is the InChIKey of 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
The InChIKey is ORXWCHTVPSOURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-9-17(3,4)22-16(18-10)21-15-19-11(2)13-7-6-12(23-5)8-14(13)20-15/h6-9H,1-5H3,(H2,18,19,20,21,22).
What are the key properties of 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?
7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 7339621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).