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

C25H29FN4O3 — CID 159670575

IUPAC4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
SMILESCC(C)N(Cc1cccc(O)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.[H][H]
InChIInChI=1S/C25H27FN4O3.H2/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;1H
InChIKeyMTYHOUQFDVKQMK-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.12
Rot. Bonds6

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

4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 159670575) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
PubChem CID159670575
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
SMILESCC(C)N(Cc1cccc(O)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.[H][H]
InChIInChI=1S/C25H27FN4O3.H2/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;1H
InChIKeyMTYHOUQFDVKQMK-UHFFFAOYSA-N
XLogP4.12
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.12
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;molecular hydrogen?
The IUPAC name of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen (CID 159670575) is 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen is CC(C)N(Cc1cccc(O)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.[H][H].
What is the InChIKey of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is MTYHOUQFDVKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3.H2/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;1H.
What are the key properties of 4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 452.53 g/mol, XLogP of 4.12, 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;molecular hydrogen is sourced from PubChem (CID 159670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).