N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C24H25N5O5S — CID 168875485

IUPACN-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Oc2ccccc2S(C)(=O)=O)c2cc[nH]c2n1
InChIInChI=1S/C24H25N5O5S/c1-32-20-15-16(29-11-13-33-14-12-29)7-8-18(20)26-24-27-22-17(9-10-25-22)23(28-24)34-19-5-3-4-6-21(19)35(2,30)31/h3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28)
InChIKeyHFIJAPYKFDDOTR-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.74
Rot. Bonds7

About N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168875485) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168875485
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC NameN-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Oc2ccccc2S(C)(=O)=O)c2cc[nH]c2n1
InChIInChI=1S/C24H25N5O5S/c1-32-20-15-16(29-11-13-33-14-12-29)7-8-18(20)26-24-27-22-17(9-10-25-22)23(28-24)34-19-5-3-4-6-21(19)35(2,30)31/h3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28)
InChIKeyHFIJAPYKFDDOTR-UHFFFAOYSA-N
XLogP3.74
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Mps1-IN-1
CID 25195352
Mps1-IN-3
CID 91885443
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-4-ol
CID 25226298
N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
CID 56953221
4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 70648399
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 118713007
2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 121320413
4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 121320416
2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 121320420
N-[3-[[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
CID 164614786
N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 44581729
7-cyclohexyl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 72724726

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168875485) is N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(N2CCOCC2)ccc1Nc1nc(Oc2ccccc2S(C)(=O)=O)c2cc[nH]c2n1.
What is the InChIKey of N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is HFIJAPYKFDDOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-32-20-15-16(29-11-13-33-14-12-29)7-8-18(20)26-24-27-22-17(9-10-25-22)23(28-24)34-19-5-3-4-6-21(19)35(2,30)31/h3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 495.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-morpholin-4-ylphenyl)-4-(2-methylsulfonylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168875485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).