4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

C27H31FN4O3 — CID 59421232

IUPAC4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOc1cccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1
InChIInChI=1S/C27H31FN4O3/c1-18(2)32(17-20-8-7-9-21(16-20)34-4)26(33)24-19(3)29-27(31-12-14-35-15-13-31)30-25(24)22-10-5-6-11-23(22)28/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyNHUJYDVENFJQQF-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.49
Rot. Bonds7

About 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 59421232) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID59421232
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOc1cccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1
InChIInChI=1S/C27H31FN4O3/c1-18(2)32(17-20-8-7-9-21(16-20)34-4)26(33)24-19(3)29-27(31-12-14-35-15-13-31)30-25(24)22-10-5-6-11-23(22)28/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyNHUJYDVENFJQQF-UHFFFAOYSA-N
XLogP4.49
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.49
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]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 59421232) is 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is COc1cccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is NHUJYDVENFJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-18(2)32(17-20-8-7-9-21(16-20)34-4)26(33)24-19(3)29-27(31-12-14-35-15-13-31)30-25(24)22-10-5-6-11-23(22)28/h5-11,16,18H,12-15,17H2,1-4H3.
What are the key properties of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.49, 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]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).