N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide

C19H20F2N6O3 — CID 170730564

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OCc2nc(C)co2)cn1
InChIInChI=1S/C19H20F2N6O3/c1-10-5-16(27-18(24-10)19(4,20)21)26-13-6-15(25-12(3)28)22-7-14(13)29-9-17-23-11(2)8-30-17/h5-8H,9H2,1-4H3,(H2,22,24,25,26,27,28)
InChIKeyYKWXWWLOVRUSPS-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.87
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide (PubChem CID 170730564) has the molecular formula C19H20F2N6O3 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide
PubChem CID170730564
Molecular FormulaC19H20F2N6O3
Molecular Weight418.40 g/mol
Exact Mass418.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OCc2nc(C)co2)cn1
InChIInChI=1S/C19H20F2N6O3/c1-10-5-16(27-18(24-10)19(4,20)21)26-13-6-15(25-12(3)28)22-7-14(13)29-9-17-23-11(2)8-30-17/h5-8H,9H2,1-4H3,(H2,22,24,25,26,27,28)
InChIKeyYKWXWWLOVRUSPS-UHFFFAOYSA-N
XLogP3.87
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide (CID 170730564) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OCc2nc(C)co2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide?
The InChIKey is YKWXWWLOVRUSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O3/c1-10-5-16(27-18(24-10)19(4,20)21)26-13-6-15(25-12(3)28)22-7-14(13)29-9-17-23-11(2)8-30-17/h5-8H,9H2,1-4H3,(H2,22,24,25,26,27,28).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide has a molecular weight of 418.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).