2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C19H20N4O — CID 121318927

IUPAC2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2cnc(C(=O)NC3CCCc4ccccc43)c2n1
InChIInChI=1S/C19H20N4O/c1-12-10-13(2)23-11-20-17(18(23)21-12)19(24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,22,24)
InChIKeyJXRUBTWAHQCGQA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.15
Rot. Bonds2

About 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 121318927) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID121318927
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2cnc(C(=O)NC3CCCc4ccccc43)c2n1
InChIInChI=1S/C19H20N4O/c1-12-10-13(2)23-11-20-17(18(23)21-12)19(24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,22,24)
InChIKeyJXRUBTWAHQCGQA-UHFFFAOYSA-N
XLogP3.15
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.15
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-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 121318927) is 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(C)n2cnc(C(=O)NC3CCCc4ccccc43)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is JXRUBTWAHQCGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-10-13(2)23-11-20-17(18(23)21-12)19(24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.15, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).