2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

C17H20N4O4 — CID 109254907

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C17H20N4O4/c22-15(18-12-14-2-1-7-23-14)13-10-19-16(20-11-13)21-5-3-17(4-6-21)24-8-9-25-17/h1-2,7,10-11H,3-6,8-9,12H2,(H,18,22)
InChIKeyWXKFUTHBDCBNPL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.34
Rot. Bonds4

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109254907) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109254907
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C17H20N4O4/c22-15(18-12-14-2-1-7-23-14)13-10-19-16(20-11-13)21-5-3-17(4-6-21)24-8-9-25-17/h1-2,7,10-11H,3-6,8-9,12H2,(H,18,22)
InChIKeyWXKFUTHBDCBNPL-UHFFFAOYSA-N
XLogP1.34
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258830
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propylpyrimidine-5-carboxamide
CID 109246524
N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109253348
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261642
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
N-(4-tert-butylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261675

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109254907) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccco1)c1cnc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is WXKFUTHBDCBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-15(18-12-14-2-1-7-23-14)13-10-19-16(20-11-13)21-5-3-17(4-6-21)24-8-9-25-17/h1-2,7,10-11H,3-6,8-9,12H2,(H,18,22).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).