[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone

C17H26N4O4 — CID 131643059

IUPAC[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCOCCNc1ccnc(C2COCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C17H26N4O4/c1-23-10-6-18-15-2-5-19-16(20-15)14-12-25-11-7-21(14)17(22)13-3-8-24-9-4-13/h2,5,13-14H,3-4,6-12H2,1H3,(H,18,19,20)
InChIKeyYCZLSNPVKRSRBH-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.86
Rot. Bonds6

About [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone

[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 131643059) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID131643059
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCOCCNc1ccnc(C2COCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C17H26N4O4/c1-23-10-6-18-15-2-5-19-16(20-15)14-12-25-11-7-21(14)17(22)13-3-8-24-9-4-13/h2,5,13-14H,3-4,6-12H2,1H3,(H,18,19,20)
InChIKeyYCZLSNPVKRSRBH-UHFFFAOYSA-N
XLogP0.86
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[2-[[(1S)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479006
(4S)-3-[2-[[(1S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479699
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
4-({rel-(3S,4R)-3-isopropyl-4-[(2-methyl-4-pyrimidinyl)amino]-1-pyrrolidinyl}carbonyl)tetrahydro-2H-pyran-4-carbonitrile hydrochloride
CID 72845862
N-[rel-(3R,4S)-4-isopropyl-1-(4-morpholinylacetyl)-3-pyrrolidinyl]-2-methyl-4-pyrimidinamine dihydrochloride
CID 72849948
N-[rel-(3R,4S)-1-(2-amino-4-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-4-cyanotetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72921351
N-methyl-1-(2-methylpyrimidin-4-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 118739977
Oxan-4-yl-[6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118740088
1-[4-(Dimethylamino)-5-pyrimidinyl]-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 53165542
N-(2-Methoxyethyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165693
N-isopropyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165757
N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165817

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone (CID 131643059) is [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone is COCCNc1ccnc(C2COCCN2C(=O)C2CCOCC2)n1.
What is the InChIKey of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is YCZLSNPVKRSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-23-10-6-18-15-2-5-19-16(20-15)14-12-25-11-7-21(14)17(22)13-3-8-24-9-4-13/h2,5,13-14H,3-4,6-12H2,1H3,(H,18,19,20).
What are the key properties of [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone?
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 131643059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).