2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone

C18H28N4O3 — CID 131644550

IUPAC2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
SMILESCC(C)Nc1ccnc(C2COCCN2C(=O)COC2CCCC2)n1
InChIInChI=1S/C18H28N4O3/c1-13(2)20-16-7-8-19-18(21-16)15-11-24-10-9-22(15)17(23)12-25-14-5-3-4-6-14/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,20,21)
InChIKeyXGUYJBGXNLDLRX-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.16
Rot. Bonds6

About 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone

2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone (PubChem CID 131644550) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
PubChem CID131644550
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
SMILESCC(C)Nc1ccnc(C2COCCN2C(=O)COC2CCCC2)n1
InChIInChI=1S/C18H28N4O3/c1-13(2)20-16-7-8-19-18(21-16)15-11-24-10-9-22(15)17(23)12-25-14-5-3-4-6-14/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,20,21)
InChIKeyXGUYJBGXNLDLRX-UHFFFAOYSA-N
XLogP2.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
2-(4-cyclopentylmorpholin-3-yl)-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840555
2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129004659
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 97485514
1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 131638506
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 131644722
2-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone (CID 131644550) is 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone is CC(C)Nc1ccnc(C2COCCN2C(=O)COC2CCCC2)n1.
What is the InChIKey of 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
The InChIKey is XGUYJBGXNLDLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(2)20-16-7-8-19-18(21-16)15-11-24-10-9-22(15)17(23)12-25-14-5-3-4-6-14/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 131644550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).