2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide

C13H19N5O2 — CID 13272325

IUPAC2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C13H19N5O2/c1-20-12-9(6-15-13(14)17-12)11(19)16-10-7-18-4-2-8(10)3-5-18/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H2,14,15,17)
InChIKeyCFJWXFZRGCKXTG-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.11
Rot. Bonds3

About 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide

2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide (PubChem CID 13272325) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide
PubChem CID13272325
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C13H19N5O2/c1-20-12-9(6-15-13(14)17-12)11(19)16-10-7-18-4-2-8(10)3-5-18/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H2,14,15,17)
InChIKeyCFJWXFZRGCKXTG-UHFFFAOYSA-N
XLogP-0.11
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Pyrimidinecarboxamide, 2-amino-4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3055427
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-propoxy-
CID 3055428
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-isopropoxy-
CID 3055429
5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-((1-methyl-2-pyrrolidinyl)methyl)-
CID 3069103
5-Pyrimidinecarboxamide, 4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methyl-
CID 3069125
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
CID 10969334
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055413
5-Pyrimidinecarboxamide, 2-amino-N-((1-butyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055423
5-Pyrimidinecarboxamide, 2-(dimethylamino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055432
5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-((1-propyl-2-pyrrolidinyl)methyl)-
CID 3055433
5-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)ethyl)-4-methoxy-
CID 3055434
5-Pyrimidinecarboxamide, 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxy-
CID 3069098

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide (CID 13272325) is 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide is COc1nc(N)ncc1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide?
The InChIKey is CFJWXFZRGCKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-20-12-9(6-15-13(14)17-12)11(19)16-10-7-18-4-2-8(10)3-5-18/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H2,14,15,17).
What are the key properties of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide?
2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 13272325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).