N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C16H20N4O3 — CID 20959478

IUPACN-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccco1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H20N4O3/c21-15(17-5-1-3-14-4-2-8-23-14)13-11-18-16(19-12-13)20-6-9-22-10-7-20/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,17,21)
InChIKeySXUGXRXLFDITMH-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.27
Rot. Bonds6

About N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959478) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959478
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccco1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H20N4O3/c21-15(17-5-1-3-14-4-2-8-23-14)13-11-18-16(19-12-13)20-6-9-22-10-7-20/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,17,21)
InChIKeySXUGXRXLFDITMH-UHFFFAOYSA-N
XLogP1.27
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959478) is N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(NCCCc1ccco1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is SXUGXRXLFDITMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15(17-5-1-3-14-4-2-8-23-14)13-11-18-16(19-12-13)20-6-9-22-10-7-20/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,17,21).
What are the key properties of N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).