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

C16H24N4O3 — CID 109261642

IUPACN-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C16H24N4O3/c1-15(2,3)19-13(21)12-10-17-14(18-11-12)20-6-4-16(5-7-20)22-8-9-23-16/h10-11H,4-9H2,1-3H3,(H,19,21)
InChIKeyWUKNVGBRNLPNRD-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.35
Rot. Bonds2

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

N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (PubChem CID 109261642) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
PubChem CID109261642
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C16H24N4O3/c1-15(2,3)19-13(21)12-10-17-14(18-11-12)20-6-4-16(5-7-20)22-8-9-23-16/h10-11H,4-9H2,1-3H3,(H,19,21)
InChIKeyWUKNVGBRNLPNRD-UHFFFAOYSA-N
XLogP1.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(tetrahydro-2H-pyran-4-yl)-5-pyrimidinecarboxamide
CID 72896767
N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide
CID 110246686
N-cyclopentyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20863871
N-(3-Methoxypropyl)-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 20863916
N-(3-isopropoxypropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20863917
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
N-(3-ethoxypropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959354
N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959439
N~5~-(3-Isopropoxypropyl)-2-morpholino-5-pyrimidinecarboxamide
CID 20959440
N-butyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959451
2-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-5-carboxamide
CID 20959463
Ethyl 4-[(2-methoxypyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 53152275

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (CID 109261642) is N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The InChIKey is WUKNVGBRNLPNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-15(2,3)19-13(21)12-10-17-14(18-11-12)20-6-4-16(5-7-20)22-8-9-23-16/h10-11H,4-9H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).