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

C26H29FN4O3 — CID 59421140

IUPAC4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOc1cccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1
InChIInChI=1S/C26H29FN4O3/c1-18(2)31(17-19-7-6-8-20(15-19)33-3)25(32)22-16-28-26(30-11-13-34-14-12-30)29-24(22)21-9-4-5-10-23(21)27/h4-10,15-16,18H,11-14,17H2,1-3H3
InChIKeyVQMKJASLAHEQJV-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.18
Rot. Bonds7

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

4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 59421140) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID59421140
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOc1cccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1
InChIInChI=1S/C26H29FN4O3/c1-18(2)31(17-19-7-6-8-20(15-19)33-3)25(32)22-16-28-26(30-11-13-34-14-12-30)29-24(22)21-9-4-5-10-23(21)27/h4-10,15-16,18H,11-14,17H2,1-3H3
InChIKeyVQMKJASLAHEQJV-UHFFFAOYSA-N
XLogP4.18
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 59421140) is 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is COc1cccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is VQMKJASLAHEQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-18(2)31(17-19-7-6-8-20(15-19)33-3)25(32)22-16-28-26(30-11-13-34-14-12-30)29-24(22)21-9-4-5-10-23(21)27/h4-10,15-16,18H,11-14,17H2,1-3H3.
What are the key properties of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).