N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide

C19H21F2N5O4 — CID 175990770

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OC[C@H]2CCC(=O)O2)cn1
InChIInChI=1S/C19H21F2N5O4/c1-10-6-16(26-18(23-10)19(3,20)21)25-13-7-15(24-11(2)27)22-8-14(13)29-9-12-4-5-17(28)30-12/h6-8,12H,4-5,9H2,1-3H3,(H2,22,23,24,25,26,27)/t12-/m1/s1
InChIKeyGYMKWGMLOCIDLL-GFCCVEGCSA-N
MW421.40 g/mol
LogP3.08
Rot. Bonds7

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide (PubChem CID 175990770) has the molecular formula C19H21F2N5O4 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide
PubChem CID175990770
Molecular FormulaC19H21F2N5O4
Molecular Weight421.40 g/mol
Exact Mass421.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OC[C@H]2CCC(=O)O2)cn1
InChIInChI=1S/C19H21F2N5O4/c1-10-6-16(26-18(23-10)19(3,20)21)25-13-7-15(24-11(2)27)22-8-14(13)29-9-12-4-5-17(28)30-12/h6-8,12H,4-5,9H2,1-3H3,(H2,22,23,24,25,26,27)/t12-/m1/s1
InChIKeyGYMKWGMLOCIDLL-GFCCVEGCSA-N
XLogP3.08
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]acetamide
CID 175990718
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(3R)-3-fluorooxan-3-yl]methoxy]-2-pyridinyl]acetamide
CID 175990969
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(3-methyl-1,2-thiazol-4-yl)methoxy]-2-pyridinyl]acetamide
CID 175990823
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
CID 170731313
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(oxolan-2-yl)-2-pyridinyl]acetamide
CID 175990768
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
CID 170730824

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide (CID 175990770) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(OC[C@H]2CCC(=O)O2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide?
The InChIKey is GYMKWGMLOCIDLL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F2N5O4/c1-10-6-16(26-18(23-10)19(3,20)21)25-13-7-15(24-11(2)27)22-8-14(13)29-9-12-4-5-17(28)30-12/h6-8,12H,4-5,9H2,1-3H3,(H2,22,23,24,25,26,27)/t12-/m1/s1.
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide has a molecular weight of 421.40 g/mol, XLogP of 3.08, 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-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 175990770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).