4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine

C21H21FN4O4S — CID 56575792

IUPAC4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C21H21FN4O4S/c22-17-3-5-18(6-4-17)30-20-9-10-23-21(25-20)24-15-16-1-7-19(8-2-16)31(27,28)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,23,24,25)
InChIKeyQKXIVEKNQLENQR-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.04
Rot. Bonds7

About 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine (PubChem CID 56575792) has the molecular formula C21H21FN4O4S and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
PubChem CID56575792
Molecular FormulaC21H21FN4O4S
Molecular Weight444.49 g/mol
Exact Mass444.13
IUPAC Name4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C21H21FN4O4S/c22-17-3-5-18(6-4-17)30-20-9-10-23-21(25-20)24-15-16-1-7-19(8-2-16)31(27,28)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,23,24,25)
InChIKeyQKXIVEKNQLENQR-UHFFFAOYSA-N
XLogP3.04
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]piperazin-2-one
CID 56575228
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
CID 56574306
5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 133358400
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
4-(4-fluorophenoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 56574268
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 133369175
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine (CID 56575792) is 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine is O=S(=O)(c1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is QKXIVEKNQLENQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4S/c22-17-3-5-18(6-4-17)30-20-9-10-23-21(25-20)24-15-16-1-7-19(8-2-16)31(27,28)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,23,24,25).
What are the key properties of 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 444.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56575792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).