4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C24H25ClFN5O3 — CID 162624249

IUPAC4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C24H25ClFN5O3/c25-21-13-19(4-5-22(21)34-15-17-2-1-3-18(26)12-17)30-23-20(14-27-16-29-23)24(32)28-6-7-31-8-10-33-11-9-31/h1-5,12-14,16H,6-11,15H2,(H,28,32)(H,27,29,30)
InChIKeyWHUFGYGAGIGYFK-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.65
Rot. Bonds9

About 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 162624249) has the molecular formula C24H25ClFN5O3 and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID162624249
Molecular FormulaC24H25ClFN5O3
Molecular Weight485.95 g/mol
Exact Mass485.16
IUPAC Name4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C24H25ClFN5O3/c25-21-13-19(4-5-22(21)34-15-17-2-1-3-18(26)12-17)30-23-20(14-27-16-29-23)24(32)28-6-7-31-8-10-33-11-9-31/h1-5,12-14,16H,6-11,15H2,(H,28,32)(H,27,29,30)
InChIKeyWHUFGYGAGIGYFK-UHFFFAOYSA-N
XLogP3.65
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[6-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]-2-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)urea
CID 11570823
4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 25271515
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-methyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide
CID 24786206
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[(2-morpholin-4-ylacetyl)amino]propanamide
CID 11657235
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide
CID 143506997
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide
CID 24782621
(Z)-3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-methylpyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 51346888
7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide;ethane
CID 143506961
acetylene;2-[[6-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5-methylpyridazin-4-yl]amino]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 143507000
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-methyl-5-[(E)-3-morpholin-4-ylpropoxyiminomethyl]pyrimidin-4-amine
CID 53322690
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(2-morpholin-4-ylethyl)pyrrol-1-yl]quinazolin-4-amine
CID 141179850

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 162624249) is 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is WHUFGYGAGIGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O3/c25-21-13-19(4-5-22(21)34-15-17-2-1-3-18(26)12-17)30-23-20(14-27-16-29-23)24(32)28-6-7-31-8-10-33-11-9-31/h1-5,12-14,16H,6-11,15H2,(H,28,32)(H,27,29,30).
What are the key properties of 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 162624249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).