[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone

C18H20ClFN4O4 — CID 71582693

IUPAC[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone
SMILESCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCCF)ncc1Cl
InChIInChI=1S/C18H20ClFN4O4/c1-26-16-13(19)11-21-18(23-16)22-14-3-2-12(10-15(14)28-7-4-20)17(25)24-5-8-27-9-6-24/h2-3,10-11H,4-9H2,1H3,(H,21,22,23)
InChIKeyFUGVWPNOYGOYCL-UHFFFAOYSA-N
MW410.83 g/mol
LogP2.70
Rot. Bonds7

About [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone

[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone (PubChem CID 71582693) has the molecular formula C18H20ClFN4O4 and a molecular weight of 410.83 g/mol. Its IUPAC name is [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone
PubChem CID71582693
Molecular FormulaC18H20ClFN4O4
Molecular Weight410.83 g/mol
Exact Mass410.12
IUPAC Name[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone
SMILESCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCCF)ncc1Cl
InChIInChI=1S/C18H20ClFN4O4/c1-26-16-13(19)11-21-18(23-16)22-14-3-2-12(10-15(14)28-7-4-20)17(25)24-5-8-27-9-6-24/h2-3,10-11H,4-9H2,1H3,(H,21,22,23)
InChIKeyFUGVWPNOYGOYCL-UHFFFAOYSA-N
XLogP2.70
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[5-chloro-4-(2-methoxyethylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539261
[4-[(5-cyclopropyl-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539186
[4-[[5-chloro-4-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 167428529
[4-[(4-amino-5-bromopyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 121258187
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 58539103
3-[4-[5-chloro-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazol-1-yl]butanenitrile
CID 156865481
4-[(5-chloro-4-propoxypyrimidin-2-yl)amino]-3-methoxybenzoic acid
CID 58539092
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 58539139
[4-[[5-chloro-4-(2-cyclohexylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxyphenyl]-morpholin-4-ylmethanone
CID 58235658
[4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 69088474
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 54596181
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 58539126

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone (CID 71582693) is [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone is COc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCCF)ncc1Cl.
What is the InChIKey of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone?
The InChIKey is FUGVWPNOYGOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O4/c1-26-16-13(19)11-21-18(23-16)22-14-3-2-12(10-15(14)28-7-4-20)17(25)24-5-8-27-9-6-24/h2-3,10-11H,4-9H2,1H3,(H,21,22,23).
What are the key properties of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone?
[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone has a molecular weight of 410.83 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71582693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).