4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

C25H27FN4O3 — CID 11597582

IUPAC4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1cccc(O)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C25H27FN4O3/c1-17(2)30(16-18-6-5-7-19(31)14-18)24(32)21-15-27-25(29-10-12-33-13-11-29)28-23(21)20-8-3-4-9-22(20)26/h3-9,14-15,17,31H,10-13,16H2,1-2H3
InChIKeyIRIPDUAXNYOVSU-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.88
Rot. Bonds6

About 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 11597582) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID11597582
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1cccc(O)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C25H27FN4O3/c1-17(2)30(16-18-6-5-7-19(31)14-18)24(32)21-15-27-25(29-10-12-33-13-11-29)28-23(21)20-8-3-4-9-22(20)26/h3-9,14-15,17,31H,10-13,16H2,1-2H3
InChIKeyIRIPDUAXNYOVSU-UHFFFAOYSA-N
XLogP3.88
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 11597582) is 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)N(Cc1cccc(O)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IRIPDUAXNYOVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-17(2)30(16-18-6-5-7-19(31)14-18)24(32)21-15-27-25(29-10-12-33-13-11-29)28-23(21)20-8-3-4-9-22(20)26/h3-9,14-15,17,31H,10-13,16H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 11597582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).