5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine

C22H21N7O3S — CID 73056831

IUPAC5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2ccc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1
InChIInChI=1S/C22H21N7O3S/c1-33(30,31)17-8-15(10-24-13-17)14-2-3-18-19(9-14)27-20(16-11-25-22(23)26-12-16)28-21(18)29-4-6-32-7-5-29/h2-3,8-13H,4-7H2,1H3,(H2,23,25,26)
InChIKeyHEJYXCXVZHKRKN-UHFFFAOYSA-N
MW463.52 g/mol
LogP1.97
Rot. Bonds4

About 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine

5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine (PubChem CID 73056831) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine
PubChem CID73056831
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC Name5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2ccc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1
InChIInChI=1S/C22H21N7O3S/c1-33(30,31)17-8-15(10-24-13-17)14-2-3-18-19(9-14)27-20(16-11-25-22(23)26-12-16)28-21(18)29-4-6-32-7-5-29/h2-3,8-13H,4-7H2,1H3,(H2,23,25,26)
InChIKeyHEJYXCXVZHKRKN-UHFFFAOYSA-N
XLogP1.97
TPSA137.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine (CID 73056831) is 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine is CS(=O)(=O)c1cncc(-c2ccc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1.
What is the InChIKey of 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine?
The InChIKey is HEJYXCXVZHKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c1-33(30,31)17-8-15(10-24-13-17)14-2-3-18-19(9-14)27-20(16-11-25-22(23)26-12-16)28-21(18)29-4-6-32-7-5-29/h2-3,8-13H,4-7H2,1H3,(H2,23,25,26).
What are the key properties of 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine?
5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine has a molecular weight of 463.52 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(5-methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 73056831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).