N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

C19H20N4O5 — CID 109352549

IUPACN-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C19H20N4O5/c24-18(22-13-1-2-15-16(9-13)26-12-25-15)14-10-17(21-11-20-14)23-5-3-19(4-6-23)27-7-8-28-19/h1-2,9-11H,3-8,12H2,(H,22,24)
InChIKeyYBQIKCLNUZYZHI-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.80
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (PubChem CID 109352549) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
PubChem CID109352549
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C19H20N4O5/c24-18(22-13-1-2-15-16(9-13)26-12-25-15)14-10-17(21-11-20-14)23-5-3-19(4-6-23)27-7-8-28-19/h1-2,9-11H,3-8,12H2,(H,22,24)
InChIKeyYBQIKCLNUZYZHI-UHFFFAOYSA-N
XLogP1.80
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215731
N-(3-chloro-4-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352530
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352525
N-(2,6-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352559
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352528
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
N-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950080
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109352486
N-(1,3-benzodioxol-5-yl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338799
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
6-(4-acetylanilino)-N-(1,3-benzodioxol-5-yl)pyrimidine-4-carboxamide
CID 109359392

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (CID 109352549) is N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The InChIKey is YBQIKCLNUZYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c24-18(22-13-1-2-15-16(9-13)26-12-25-15)14-10-17(21-11-20-14)23-5-3-19(4-6-23)27-7-8-28-19/h1-2,9-11H,3-8,12H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).