2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H25N3O2 — CID 121330054

IUPAC2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC4(CCCO4)CC3)c2n1
InChIInChI=1S/C19H25N3O2/c1-13-12-14(2)22-10-6-16(17(22)20-13)18(23)21-15-4-8-19(9-5-15)7-3-11-24-19/h6,10,12,15H,3-5,7-9,11H2,1-2H3,(H,21,23)
InChIKeyVHTSKDVSCDBUAB-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds2

About 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330054) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330054
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC4(CCCO4)CC3)c2n1
InChIInChI=1S/C19H25N3O2/c1-13-12-14(2)22-10-6-16(17(22)20-13)18(23)21-15-4-8-19(9-5-15)7-3-11-24-19/h6,10,12,15H,3-5,7-9,11H2,1-2H3,(H,21,23)
InChIKeyVHTSKDVSCDBUAB-UHFFFAOYSA-N
XLogP3.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
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-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330054) is 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC4(CCCO4)CC3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is VHTSKDVSCDBUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-12-14(2)22-10-6-16(17(22)20-13)18(23)21-15-4-8-19(9-5-15)7-3-11-24-19/h6,10,12,15H,3-5,7-9,11H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.17, 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-(1-oxaspiro[4.5]decan-8-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).