N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide

C13H15N5O — CID 99719181

IUPACN-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)c1cc2cncn2cn1
InChIInChI=1S/C13H15N5O/c19-13(17-11-2-8-1-10(11)15-4-8)12-3-9-5-14-6-18(9)7-16-12/h3,5-8,10-11,15H,1-2,4H2,(H,17,19)/t8-,10+,11+/m0/s1
InChIKeyUSEYBNCKQCQBCZ-JMJZKYOTSA-N
MW257.30 g/mol
LogP0.21
Rot. Bonds2

About N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide

N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide (PubChem CID 99719181) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide
PubChem CID99719181
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)c1cc2cncn2cn1
InChIInChI=1S/C13H15N5O/c19-13(17-11-2-8-1-10(11)15-4-8)12-3-9-5-14-6-18(9)7-16-12/h3,5-8,10-11,15H,1-2,4H2,(H,17,19)/t8-,10+,11+/m0/s1
InChIKeyUSEYBNCKQCQBCZ-JMJZKYOTSA-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,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide?
The IUPAC name of N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide (CID 99719181) is N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide is O=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)c1cc2cncn2cn1.
What is the InChIKey of N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide?
The InChIKey is USEYBNCKQCQBCZ-JMJZKYOTSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(17-11-2-8-1-10(11)15-4-8)12-3-9-5-14-6-18(9)7-16-12/h3,5-8,10-11,15H,1-2,4H2,(H,17,19)/t8-,10+,11+/m0/s1.
What are the key properties of N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide?
N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-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,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 99719181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).