N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide

C14H20N4O3 — CID 122318827

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)C1CCOC1
InChIInChI=1S/C14H20N4O3/c19-14(11-2-6-21-10-11)16-9-12-15-3-1-13(17-12)18-4-7-20-8-5-18/h1,3,11H,2,4-10H2,(H,16,19)
InChIKeyWYSTYMRHHJNJDT-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.03
Rot. Bonds4

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 122318827) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
PubChem CID122318827
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)C1CCOC1
InChIInChI=1S/C14H20N4O3/c19-14(11-2-6-21-10-11)16-9-12-15-3-1-13(17-12)18-4-7-20-8-5-18/h1,3,11H,2,4-10H2,(H,16,19)
InChIKeyWYSTYMRHHJNJDT-UHFFFAOYSA-N
XLogP-0.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide (CID 122318827) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide is O=C(NCc1nccc(N2CCOCC2)n1)C1CCOC1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is WYSTYMRHHJNJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(11-2-6-21-10-11)16-9-12-15-3-1-13(17-12)18-4-7-20-8-5-18/h1,3,11H,2,4-10H2,(H,16,19).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 122318827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).