6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide

C24H29FN4O2 — CID 70326694

IUPAC6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)C1=C(C2C=CC=CC2F)NC(N2CCOCC2)=NC1)c1ccccc1
InChIInChI=1S/C24H29FN4O2/c1-17(2)29(18-8-4-3-5-9-18)23(30)20-16-26-24(28-12-14-31-15-13-28)27-22(20)19-10-6-7-11-21(19)25/h3-11,17,19,21H,12-16H2,1-2H3,(H,26,27)
InChIKeyLCLAGGZVMXKCKE-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.05
Rot. Bonds4

About 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide

6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 70326694) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID70326694
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)C1=C(C2C=CC=CC2F)NC(N2CCOCC2)=NC1)c1ccccc1
InChIInChI=1S/C24H29FN4O2/c1-17(2)29(18-8-4-3-5-9-18)23(30)20-16-26-24(28-12-14-31-15-13-28)27-22(20)19-10-6-7-11-21(19)25/h3-11,17,19,21H,12-16H2,1-2H3,(H,26,27)
InChIKeyLCLAGGZVMXKCKE-UHFFFAOYSA-N
XLogP3.05
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide (CID 70326694) is 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide is CC(C)N(C(=O)C1=C(C2C=CC=CC2F)NC(N2CCOCC2)=NC1)c1ccccc1.
What is the InChIKey of 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is LCLAGGZVMXKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17(2)29(18-8-4-3-5-9-18)23(30)20-16-26-24(28-12-14-31-15-13-28)27-22(20)19-10-6-7-11-21(19)25/h3-11,17,19,21H,12-16H2,1-2H3,(H,26,27).
What are the key properties of 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide?
6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluorocyclohexa-2,4-dien-1-yl)-2-morpholin-4-yl-N-phenyl-N-propan-2-yl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 70326694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).