N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine

C16H13N7O — CID 23160279

IUPACN-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4cnccn4)cc23)n1
InChIInChI=1S/C16H13N7O/c1-23-7-4-14(22-23)21-16-12-8-11(2-3-13(12)19-10-20-16)24-15-9-17-5-6-18-15/h2-10H,1H3,(H,19,20,21,22)
InChIKeyVDNZMIFVFXYAMK-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.69
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine

N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine (PubChem CID 23160279) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine
PubChem CID23160279
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4cnccn4)cc23)n1
InChIInChI=1S/C16H13N7O/c1-23-7-4-14(22-23)21-16-12-8-11(2-3-13(12)19-10-20-16)24-15-9-17-5-6-18-15/h2-10H,1H3,(H,19,20,21,22)
InChIKeyVDNZMIFVFXYAMK-UHFFFAOYSA-N
XLogP2.69
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine (CID 23160279) is N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4cnccn4)cc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine?
The InChIKey is VDNZMIFVFXYAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c1-23-7-4-14(22-23)21-16-12-8-11(2-3-13(12)19-10-20-16)24-15-9-17-5-6-18-15/h2-10H,1H3,(H,19,20,21,22).
What are the key properties of N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine?
N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine has a molecular weight of 319.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-6-pyrazin-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 23160279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).