N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide

C13H15N5O — CID 93499254

IUPACN-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
SMILESO=C(N[C@H]1C[C@H]2C[C@@H]1CN2)c1cc2nccn2cn1
InChIInChI=1S/C13H15N5O/c19-13(17-10-4-9-3-8(10)6-15-9)11-5-12-14-1-2-18(12)7-16-11/h1-2,5,7-10,15H,3-4,6H2,(H,17,19)/t8-,9-,10+/m1/s1
InChIKeyLWZZVWDUESWLSQ-BBBLOLIVSA-N
MW257.30 g/mol
LogP0.21
Rot. Bonds2

About N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide

N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide (PubChem CID 93499254) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
PubChem CID93499254
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
SMILESO=C(N[C@H]1C[C@H]2C[C@@H]1CN2)c1cc2nccn2cn1
InChIInChI=1S/C13H15N5O/c19-13(17-10-4-9-3-8(10)6-15-9)11-5-12-14-1-2-18(12)7-16-11/h1-2,5,7-10,15H,3-4,6H2,(H,17,19)/t8-,9-,10+/m1/s1
InChIKeyLWZZVWDUESWLSQ-BBBLOLIVSA-N
XLogP0.21
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide?
The IUPAC name of N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide (CID 93499254) is N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide is O=C(N[C@H]1C[C@H]2C[C@@H]1CN2)c1cc2nccn2cn1.
What is the InChIKey of N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide?
The InChIKey is LWZZVWDUESWLSQ-BBBLOLIVSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(17-10-4-9-3-8(10)6-15-9)11-5-12-14-1-2-18(12)7-16-11/h1-2,5,7-10,15H,3-4,6H2,(H,17,19)/t8-,9-,10+/m1/s1.
What are the key properties of N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide?
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 93499254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).