N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

C20H26FN5O2 — CID 172589935

IUPACN-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3ccnc(C(C)(C)O)c3)n2)CC1
InChIInChI=1S/C20H26FN5O2/c1-12(27)24-14-4-6-15(7-5-14)25-19-23-11-16(21)18(26-19)13-8-9-22-17(10-13)20(2,3)28/h8-11,14-15,28H,4-7H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyPZIBQZHXJOVVDZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.76
Rot. Bonds5

About N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172589935) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172589935
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3ccnc(C(C)(C)O)c3)n2)CC1
InChIInChI=1S/C20H26FN5O2/c1-12(27)24-14-4-6-15(7-5-14)25-19-23-11-16(21)18(26-19)13-8-9-22-17(10-13)20(2,3)28/h8-11,14-15,28H,4-7H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyPZIBQZHXJOVVDZ-UHFFFAOYSA-N
XLogP2.76
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172589935) is N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(F)c(-c3ccnc(C(C)(C)O)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is PZIBQZHXJOVVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-12(27)24-14-4-6-15(7-5-14)25-19-23-11-16(21)18(26-19)13-8-9-22-17(10-13)20(2,3)28/h8-11,14-15,28H,4-7H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-4-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172589935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).