N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide

C14H15ClN4O — CID 22566092

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1cc2ccc(Cl)n2cn1
InChIInChI=1S/C14H15ClN4O/c15-13-2-1-9-5-12(17-7-19(9)13)14(20)18-11-4-8-3-10(11)16-6-8/h1-2,5,7-8,10-11,16H,3-4,6H2,(H,18,20)
InChIKeyDXLRDCFAGASDPJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.47
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 22566092) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide
PubChem CID22566092
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1cc2ccc(Cl)n2cn1
InChIInChI=1S/C14H15ClN4O/c15-13-2-1-9-5-12(17-7-19(9)13)14(20)18-11-4-8-3-10(11)16-6-8/h1-2,5,7-8,10-11,16H,3-4,6H2,(H,18,20)
InChIKeyDXLRDCFAGASDPJ-UHFFFAOYSA-N
XLogP1.47
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 22566092) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide is O=C(NC1CC2CNC1C2)c1cc2ccc(Cl)n2cn1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is DXLRDCFAGASDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-13-2-1-9-5-12(17-7-19(9)13)14(20)18-11-4-8-3-10(11)16-6-8/h1-2,5,7-8,10-11,16H,3-4,6H2,(H,18,20).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 22566092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).