2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide

C24H29FN6O3 — CID 54504868

IUPAC2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide
SMILESCCCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N(C)C)n3)[nH]2)OC1
InChIInChI=1S/C24H29FN6O3/c1-5-11-26-22(32)24(2)13-33-21(34-14-24)20-29-18(15-6-8-16(25)9-7-15)19(30-20)17-10-12-27-23(28-17)31(3)4/h6-10,12,21H,5,11,13-14H2,1-4H3,(H,26,32)(H,29,30)
InChIKeyYEYRKRQRLRXXRG-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.32
Rot. Bonds7

About 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide

2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide (PubChem CID 54504868) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide
PubChem CID54504868
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide
SMILESCCCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N(C)C)n3)[nH]2)OC1
InChIInChI=1S/C24H29FN6O3/c1-5-11-26-22(32)24(2)13-33-21(34-14-24)20-29-18(15-6-8-16(25)9-7-15)19(30-20)17-10-12-27-23(28-17)31(3)4/h6-10,12,21H,5,11,13-14H2,1-4H3,(H,26,32)(H,29,30)
InChIKeyYEYRKRQRLRXXRG-UHFFFAOYSA-N
XLogP3.32
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide (CID 54504868) is 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide is CCCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N(C)C)n3)[nH]2)OC1.
What is the InChIKey of 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?
The InChIKey is YEYRKRQRLRXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-5-11-26-22(32)24(2)13-33-21(34-14-24)20-29-18(15-6-8-16(25)9-7-15)19(30-20)17-10-12-27-23(28-17)31(3)4/h6-10,12,21H,5,11,13-14H2,1-4H3,(H,26,32)(H,29,30).
What are the key properties of 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?
2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 54504868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).