2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid

C16H16N6O2 — CID 95134912

IUPAC2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid
SMILESC[C@H](Cc1cnccn1)Nc1nc(N)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C16H16N6O2/c1-9(6-11-8-18-4-5-19-11)20-14-12-7-10(15(23)24)2-3-13(12)21-16(17)22-14/h2-5,7-9H,6H2,1H3,(H,23,24)(H3,17,20,21,22)/t9-/m1/s1
InChIKeyYPXFXZYTVHGAPB-SECBINFHSA-N
MW324.34 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid

2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid (PubChem CID 95134912) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid
PubChem CID95134912
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid
SMILESC[C@H](Cc1cnccn1)Nc1nc(N)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C16H16N6O2/c1-9(6-11-8-18-4-5-19-11)20-14-12-7-10(15(23)24)2-3-13(12)21-16(17)22-14/h2-5,7-9H,6H2,1H3,(H,23,24)(H3,17,20,21,22)/t9-/m1/s1
InChIKeyYPXFXZYTVHGAPB-SECBINFHSA-N
XLogP1.74
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid?
The IUPAC name of 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid (CID 95134912) is 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid?
The canonical SMILES for 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid is C[C@H](Cc1cnccn1)Nc1nc(N)nc2ccc(C(=O)O)cc12.
What is the InChIKey of 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid?
The InChIKey is YPXFXZYTVHGAPB-SECBINFHSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9(6-11-8-18-4-5-19-11)20-14-12-7-10(15(23)24)2-3-13(12)21-16(17)22-14/h2-5,7-9H,6H2,1H3,(H,23,24)(H3,17,20,21,22)/t9-/m1/s1.
What are the key properties of 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid?
2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]quinazoline-6-carboxylic acid is sourced from PubChem (CID 95134912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).