cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone

C17H24N4O2 — CID 97484804

IUPACcyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESCCN(C)c1ccnc([C@@H]2COCCN2C(=O)C2=CCCC2)n1
InChIInChI=1S/C17H24N4O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13/h6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-/m0/s1
InChIKeyVYYHXRQUOAQEQK-AWEZNQCLSA-N
MW316.41 g/mol
LogP1.94
Rot. Bonds4

About cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone

cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone (PubChem CID 97484804) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
PubChem CID97484804
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Namecyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESCCN(C)c1ccnc([C@@H]2COCCN2C(=O)C2=CCCC2)n1
InChIInChI=1S/C17H24N4O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13/h6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-/m0/s1
InChIKeyVYYHXRQUOAQEQK-AWEZNQCLSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide
CID 128990952
Cyclohexen-1-yl-[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155825836
2-(Cyclohexen-1-yl)-1-[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836113
Cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155839853
Cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155851849
N,2-dimethyl-1-oxo-N-(1-pyrimidin-4-ylpiperidin-4-yl)-7H-cyclopenta[c]pyridine-4-carboxamide
CID 148684618
cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474863
cyclopenten-1-yl-[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474864
cyclopenten-1-yl-[(3R)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 97477890
cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 97477891
cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
CID 97484806
1-[(3R)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-2-(cyclohexen-1-yl)ethanone
CID 97485027

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone (CID 97484804) is cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone is CCN(C)c1ccnc([C@@H]2COCCN2C(=O)C2=CCCC2)n1.
What is the InChIKey of cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
The InChIKey is VYYHXRQUOAQEQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13/h6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 97484804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).