N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide

C10H17N3O — CID 135274317

IUPACN,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCNC(=O)C1C2=NCCCN2CC1C
InChIInChI=1S/C10H17N3O/c1-7-6-13-5-3-4-12-9(13)8(7)10(14)11-2/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyXAFRVTHISIQHHK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.10
Rot. Bonds1

About N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide

N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 135274317) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID135274317
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCNC(=O)C1C2=NCCCN2CC1C
InChIInChI=1S/C10H17N3O/c1-7-6-13-5-3-4-12-9(13)8(7)10(14)11-2/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyXAFRVTHISIQHHK-UHFFFAOYSA-N
XLogP0.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 135274317) is N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide is CNC(=O)C1C2=NCCCN2CC1C.
What is the InChIKey of N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is XAFRVTHISIQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-6-13-5-3-4-12-9(13)8(7)10(14)11-2/h7-8H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide?
N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 135274317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).