2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C22H25N3O — CID 121318306

IUPAC2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)c3cccc4c3CCCC4)c2n1
InChIInChI=1S/C22H25N3O/c1-14-13-15(2)25-12-11-20(21(25)23-14)22(26)24-16(3)18-10-6-8-17-7-4-5-9-19(17)18/h6,8,10-13,16H,4-5,7,9H2,1-3H3,(H,24,26)
InChIKeyVCQFJQPRZRMTIA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.32
Rot. Bonds3

About 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318306) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318306
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)c3cccc4c3CCCC4)c2n1
InChIInChI=1S/C22H25N3O/c1-14-13-15(2)25-12-11-20(21(25)23-14)22(26)24-16(3)18-10-6-8-17-7-4-5-9-19(17)18/h6,8,10-13,16H,4-5,7,9H2,1-3H3,(H,24,26)
InChIKeyVCQFJQPRZRMTIA-UHFFFAOYSA-N
XLogP4.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318214
2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 145078607
2-(4-chlorophenyl)-2-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]acetic acid
CID 166369066
2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146432447
N-(2-methoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330118
N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2-hydroxyethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146185741
2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146409082
N-[4-[(2R)-butan-2-yl]oxycyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330202
N-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330288
N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330122
N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121329941
2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330289

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318306) is 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC(C)c3cccc4c3CCCC4)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is VCQFJQPRZRMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-13-15(2)25-12-11-20(21(25)23-14)22(26)24-16(3)18-10-6-8-17-7-4-5-9-19(17)18/h6,8,10-13,16H,4-5,7,9H2,1-3H3,(H,24,26).
What are the key properties of 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).