4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine

C24H27FN4O4 — CID 10161321

IUPAC4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(F)c3)n2)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C24H27FN4O4/c1-30-21-14-17(15-22(31-2)23(21)33-13-10-29-8-11-32-12-9-29)20-6-7-26-24(28-20)27-19-5-3-4-18(25)16-19/h3-7,14-16H,8-13H2,1-2H3,(H,26,27,28)
InChIKeyWHXNQHIIVFDRJM-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.75
Rot. Bonds9

About 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine

4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine (PubChem CID 10161321) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine
PubChem CID10161321
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(F)c3)n2)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C24H27FN4O4/c1-30-21-14-17(15-22(31-2)23(21)33-13-10-29-8-11-32-12-9-29)20-6-7-26-24(28-20)27-19-5-3-4-18(25)16-19/h3-7,14-16H,8-13H2,1-2H3,(H,26,27,28)
InChIKeyWHXNQHIIVFDRJM-UHFFFAOYSA-N
XLogP3.75
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-(3-fluoroanilino)pyrimidin-4-yl]-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 11744429
4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 14722198
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-thiazol-5-yl]-N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 58377214
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187528
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 68628677

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine (CID 10161321) is 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine is COc1cc(-c2ccnc(Nc3cccc(F)c3)n2)cc(OC)c1OCCN1CCOCC1.
What is the InChIKey of 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine?
The InChIKey is WHXNQHIIVFDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-30-21-14-17(15-22(31-2)23(21)33-13-10-29-8-11-32-12-9-29)20-6-7-26-24(28-20)27-19-5-3-4-18(25)16-19/h3-7,14-16H,8-13H2,1-2H3,(H,26,27,28).
What are the key properties of 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine?
4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine has a molecular weight of 454.50 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 10161321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).