N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide

C21H27FN6O3 — CID 172590704

IUPACN-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC2N=CC(F)=C(c3cccc(N4CCOCC4=O)n3)N2)CC1
InChIInChI=1S/C21H27FN6O3/c1-13(29)24-14-5-7-15(8-6-14)25-21-23-11-16(22)20(27-21)17-3-2-4-18(26-17)28-9-10-31-12-19(28)30/h2-4,11,14-15,21,25,27H,5-10,12H2,1H3,(H,24,29)
InChIKeyHOHMXYKCTSUFEL-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.08
Rot. Bonds5

About N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172590704) has the molecular formula C21H27FN6O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172590704
Molecular FormulaC21H27FN6O3
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC NameN-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC2N=CC(F)=C(c3cccc(N4CCOCC4=O)n3)N2)CC1
InChIInChI=1S/C21H27FN6O3/c1-13(29)24-14-5-7-15(8-6-14)25-21-23-11-16(22)20(27-21)17-3-2-4-18(26-17)28-9-10-31-12-19(28)30/h2-4,11,14-15,21,25,27H,5-10,12H2,1H3,(H,24,29)
InChIKeyHOHMXYKCTSUFEL-UHFFFAOYSA-N
XLogP1.08
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172590704) is N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(NC2N=CC(F)=C(c3cccc(N4CCOCC4=O)n3)N2)CC1.
What is the InChIKey of N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is HOHMXYKCTSUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O3/c1-13(29)24-14-5-7-15(8-6-14)25-21-23-11-16(22)20(27-21)17-3-2-4-18(26-17)28-9-10-31-12-19(28)30/h2-4,11,14-15,21,25,27H,5-10,12H2,1H3,(H,24,29).
What are the key properties of N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172590704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).