N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide

C21H25F3N6O3 — CID 77104983

IUPACN-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H25F3N6O3/c1-2-19(31)27-17-11-15(21(22,23)24)14(13-25-17)16-12-18(29-3-7-32-8-4-29)28-20(26-16)30-5-9-33-10-6-30/h11-13H,2-10H2,1H3,(H,25,27,31)
InChIKeyFEIXIHUISNXVCK-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.58
Rot. Bonds5

About N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide

N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 77104983) has the molecular formula C21H25F3N6O3 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID77104983
Molecular FormulaC21H25F3N6O3
Molecular Weight466.46 g/mol
Exact Mass466.19
IUPAC NameN-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H25F3N6O3/c1-2-19(31)27-17-11-15(21(22,23)24)14(13-25-17)16-12-18(29-3-7-32-8-4-29)28-20(26-16)30-5-9-33-10-6-30/h11-13H,2-10H2,1H3,(H,25,27,31)
InChIKeyFEIXIHUISNXVCK-UHFFFAOYSA-N
XLogP2.58
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide (CID 77104983) is N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is FEIXIHUISNXVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O3/c1-2-19(31)27-17-11-15(21(22,23)24)14(13-25-17)16-12-18(29-3-7-32-8-4-29)28-20(26-16)30-5-9-33-10-6-30/h11-13H,2-10H2,1H3,(H,25,27,31).
What are the key properties of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 466.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 77104983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).