2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid

C17H20N6O2 — CID 50976706

IUPAC2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid
SMILESCN(CCCc1cnn(C)c1)c1nc(N)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C17H20N6O2/c1-22(7-3-4-11-9-19-23(2)10-11)15-13-8-12(16(24)25)5-6-14(13)20-17(18)21-15/h5-6,8-10H,3-4,7H2,1-2H3,(H,24,25)(H2,18,20,21)
InChIKeyAUVAONQLOVJURY-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.71
Rot. Bonds6

About 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid

2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid (PubChem CID 50976706) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid
PubChem CID50976706
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid
SMILESCN(CCCc1cnn(C)c1)c1nc(N)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C17H20N6O2/c1-22(7-3-4-11-9-19-23(2)10-11)15-13-8-12(16(24)25)5-6-14(13)20-17(18)21-15/h5-6,8-10H,3-4,7H2,1-2H3,(H,24,25)(H2,18,20,21)
InChIKeyAUVAONQLOVJURY-UHFFFAOYSA-N
XLogP1.71
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid?
The IUPAC name of 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid (CID 50976706) is 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid?
The canonical SMILES for 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid is CN(CCCc1cnn(C)c1)c1nc(N)nc2ccc(C(=O)O)cc12.
What is the InChIKey of 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid?
The InChIKey is AUVAONQLOVJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-22(7-3-4-11-9-19-23(2)10-11)15-13-8-12(16(24)25)5-6-14(13)20-17(18)21-15/h5-6,8-10H,3-4,7H2,1-2H3,(H,24,25)(H2,18,20,21).
What are the key properties of 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid?
2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid has a molecular weight of 340.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]quinazoline-6-carboxylic acid is sourced from PubChem (CID 50976706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).