5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine

C25H23N7O3S — CID 68965513

IUPAC5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine
SMILESCS(=O)(=O)n1ccc2c3nc(-c4cnc(Nc5ccccc5)nc4)nc(N4CCOCC4)c3ccc21
InChIInChI=1S/C25H23N7O3S/c1-36(33,34)32-10-9-19-21(32)8-7-20-22(19)29-23(30-24(20)31-11-13-35-14-12-31)17-15-26-25(27-16-17)28-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,27,28)
InChIKeyWIIIQNREVNOSKN-UHFFFAOYSA-N
MW501.57 g/mol
LogP3.43
Rot. Bonds5

About 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine

5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine (PubChem CID 68965513) has the molecular formula C25H23N7O3S and a molecular weight of 501.57 g/mol. Its IUPAC name is 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine
PubChem CID68965513
Molecular FormulaC25H23N7O3S
Molecular Weight501.57 g/mol
Exact Mass501.16
IUPAC Name5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine
SMILESCS(=O)(=O)n1ccc2c3nc(-c4cnc(Nc5ccccc5)nc4)nc(N4CCOCC4)c3ccc21
InChIInChI=1S/C25H23N7O3S/c1-36(33,34)32-10-9-19-21(32)8-7-20-22(19)29-23(30-24(20)31-11-13-35-14-12-31)17-15-26-25(27-16-17)28-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,27,28)
InChIKeyWIIIQNREVNOSKN-UHFFFAOYSA-N
XLogP3.43
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
CID 86634154
5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane
CID 91285437
1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
CID 68895887
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
CID 68892328
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
4-(2-chloro-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-7-yl)sulfonylpiperidine-1-carboxylic acid
CID 91590174
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine
CID 127029598
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 25254303
4-[[4-[8-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335029
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586

Frequently Asked Questions

What is the IUPAC name of 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine (CID 68965513) is 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine is CS(=O)(=O)n1ccc2c3nc(-c4cnc(Nc5ccccc5)nc4)nc(N4CCOCC4)c3ccc21.
What is the InChIKey of 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is WIIIQNREVNOSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3S/c1-36(33,34)32-10-9-19-21(32)8-7-20-22(19)29-23(30-24(20)31-11-13-35-14-12-31)17-15-26-25(27-16-17)28-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,27,28).
What are the key properties of 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine?
5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 501.57 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 68965513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).