ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide

C13H23N3O3 — CID 145084746

IUPACethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide
SMILESCC.CC.O=CNc1ccnc(OC2CCOC2)n1
InChIInChI=1S/C9H11N3O3.2C2H6/c13-6-11-8-1-3-10-9(12-8)15-7-2-4-14-5-7;2*1-2/h1,3,6-7H,2,4-5H2,(H,10,11,12,13);2*1-2H3
InChIKeyVJOHTSUWLZHTPZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.27
Rot. Bonds4

About ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide

ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide (PubChem CID 145084746) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide.

Molecular Properties

Compound Nameethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide
PubChem CID145084746
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide
SMILESCC.CC.O=CNc1ccnc(OC2CCOC2)n1
InChIInChI=1S/C9H11N3O3.2C2H6/c13-6-11-8-1-3-10-9(12-8)15-7-2-4-14-5-7;2*1-2/h1,3,6-7H,2,4-5H2,(H,10,11,12,13);2*1-2H3
InChIKeyVJOHTSUWLZHTPZ-UHFFFAOYSA-N
XLogP2.27
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
CID 130436955
N-methyl-4-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 178043736
2-(oxolan-3-yloxy)quinazoline
CID 67362717
2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride
CID 135203298
8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 78098431
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
CID 107545937
N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
CID 63558303
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide?
The IUPAC name of ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide (CID 145084746) is ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide.
What is the SMILES notation for ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide?
The canonical SMILES for ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide is CC.CC.O=CNc1ccnc(OC2CCOC2)n1.
What is the InChIKey of ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide?
The InChIKey is VJOHTSUWLZHTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3.2C2H6/c13-6-11-8-1-3-10-9(12-8)15-7-2-4-14-5-7;2*1-2/h1,3,6-7H,2,4-5H2,(H,10,11,12,13);2*1-2H3.
What are the key properties of ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide?
ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide has a molecular weight of 269.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide is sourced from PubChem (CID 145084746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).