5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine

C22H21N5O3S — CID 146177497

IUPAC5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3c[nH]c4ccccc34)c2)cn1
InChIInChI=1S/C22H21N5O3S/c23-22-25-12-16(13-26-22)15-9-17(27-5-7-30-8-6-27)11-18(10-15)31(28,29)21-14-24-20-4-2-1-3-19(20)21/h1-4,9-14,24H,5-8H2,(H2,23,25,26)
InChIKeyPTXPJFUWHPHQMQ-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.88
Rot. Bonds4

About 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine

5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine (PubChem CID 146177497) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
PubChem CID146177497
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3c[nH]c4ccccc34)c2)cn1
InChIInChI=1S/C22H21N5O3S/c23-22-25-12-16(13-26-22)15-9-17(27-5-7-30-8-6-27)11-18(10-15)31(28,29)21-14-24-20-4-2-1-3-19(20)21/h1-4,9-14,24H,5-8H2,(H2,23,25,26)
InChIKeyPTXPJFUWHPHQMQ-UHFFFAOYSA-N
XLogP2.88
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-isocyanophenyl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 159472513
3-[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylazetidine-1-carboxamide
CID 146177464
5-[3-(1-tert-butylazetidin-3-yl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 175086964
1-[3-[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylazetidin-1-yl]-2,2-dimethylpropan-1-one
CID 146177471
5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 146177523
1-[4-[[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylmethyl]anilino]-2-methylpropan-2-ol
CID 146177462
3-(4-piperazin-1-ylphenyl)sulfonyl-1H-indole
CID 10450002
4-[3-benzylsulfonyl-5-[2-(cyclopropylmethyl)pyrimidin-5-yl]phenyl]morpholine
CID 161293393
5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
CID 71666857
N-cyclopropyl-5-[3-morpholin-4-yl-5-(oxolan-3-ylsulfonyl)phenyl]pyrimidin-2-amine
CID 146177394
5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine
CID 146177512
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine (CID 146177497) is 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3c[nH]c4ccccc34)c2)cn1.
What is the InChIKey of 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
The InChIKey is PTXPJFUWHPHQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c23-22-25-12-16(13-26-22)15-9-17(27-5-7-30-8-6-27)11-18(10-15)31(28,29)21-14-24-20-4-2-1-3-19(20)21/h1-4,9-14,24H,5-8H2,(H2,23,25,26).
What are the key properties of 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine has a molecular weight of 435.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine is sourced from PubChem (CID 146177497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).