4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide

C17H17N5O — CID 53326214

IUPAC4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1
InChIInChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeyAAKOOCDMPALFJX-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.78
Rot. Bonds2

About 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide

4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide (PubChem CID 53326214) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide
PubChem CID53326214
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1
InChIInChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeyAAKOOCDMPALFJX-UHFFFAOYSA-N
XLogP2.78
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide (CID 53326214) is 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide is Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
The InChIKey is AAKOOCDMPALFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21).
What are the key properties of 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide is sourced from PubChem (CID 53326214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).