2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol

C21H22N4O3 — CID 135956049

IUPAC2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol
SMILESCOc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O
InChIInChI=1S/C21H22N4O3/c1-27-20-14-15(2-7-19(20)26)18-8-9-22-21(24-18)23-16-3-5-17(6-4-16)25-10-12-28-13-11-25/h2-9,14,26H,10-13H2,1H3,(H,22,23,24)
InChIKeyTVTOSNJQUDDNPC-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.44
Rot. Bonds5

About 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol

2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol (PubChem CID 135956049) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol
PubChem CID135956049
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol
SMILESCOc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O
InChIInChI=1S/C21H22N4O3/c1-27-20-14-15(2-7-19(20)26)18-8-9-22-21(24-18)23-16-3-5-17(6-4-16)25-10-12-28-13-11-25/h2-9,14,26H,10-13H2,1H3,(H,22,23,24)
InChIKeyTVTOSNJQUDDNPC-UHFFFAOYSA-N
XLogP3.44
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Zotiraciclib
CID 16739650
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
2-Methoxy-6-{4-[(pyridin-3-ylmethyl)amino]quinazolin-2-yl}phenol
CID 1875094
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
CID 5309317
2-Amino-4-(morpholin-4-yl)-6-(3,4-dimethoxyphenyl)pteridine
CID 11176099
6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine
CID 11597347
2,6-dimethoxy-4-(1-(2-morpholinopyrimidin-4-yl)-1H-imidazol-4-yl)phenol
CID 11997784
(16E)-10-methoxy-14-methyl-11-(2-pyrrolidin-1-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739431
(16E)-22-methoxy-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739678
(16E)-14-methyl-11-(2-morpholin-4-ylethoxy)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739710
(16E)-14-methyl-11-morpholin-4-yl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739839
(16E)-14-methyl-11-[2-(4-methylpiperazin-1-yl)ethoxy]-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739867

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol?
The IUPAC name of 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol (CID 135956049) is 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol is COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O.
What is the InChIKey of 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol?
The InChIKey is TVTOSNJQUDDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-20-14-15(2-7-19(20)26)18-8-9-22-21(24-18)23-16-3-5-17(6-4-16)25-10-12-28-13-11-25/h2-9,14,26H,10-13H2,1H3,(H,22,23,24).
What are the key properties of 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol?
2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol has a molecular weight of 378.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135956049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).