2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H27N3O2 — CID 121330373

IUPAC2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC4(CCOCC4)CC3)c2n1
InChIInChI=1S/C20H27N3O2/c1-14-13-15(2)23-10-5-17(18(23)21-14)19(24)22-16-3-6-20(7-4-16)8-11-25-12-9-20/h5,10,13,16H,3-4,6-9,11-12H2,1-2H3,(H,22,24)
InChIKeyBZBAIVGEHXZMGP-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.42
Rot. Bonds2

About 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330373) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330373
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC4(CCOCC4)CC3)c2n1
InChIInChI=1S/C20H27N3O2/c1-14-13-15(2)23-10-5-17(18(23)21-14)19(24)22-16-3-6-20(7-4-16)8-11-25-12-9-20/h5,10,13,16H,3-4,6-9,11-12H2,1-2H3,(H,22,24)
InChIKeyBZBAIVGEHXZMGP-UHFFFAOYSA-N
XLogP3.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330373) is 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC4(CCOCC4)CC3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is BZBAIVGEHXZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-13-15(2)23-10-5-17(18(23)21-14)19(24)22-16-3-6-20(7-4-16)8-11-25-12-9-20/h5,10,13,16H,3-4,6-9,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-oxaspiro[5.5]undecan-9-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).