2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C22H21N3O — CID 121318214

IUPAC2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c2n1
InChIInChI=1S/C22H21N3O/c1-14-12-15(2)25-11-10-20(21(25)23-14)22(26)24-16(3)18-9-8-17-6-4-5-7-19(17)13-18/h4-13,16H,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyWNVDWSGWFDAEFV-MRXNPFEDSA-N
MW343.43 g/mol
LogP4.60
Rot. Bonds3

About 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318214) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318214
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c2n1
InChIInChI=1S/C22H21N3O/c1-14-12-15(2)25-11-10-20(21(25)23-14)22(26)24-16(3)18-9-8-17-6-4-5-7-19(17)13-18/h4-13,16H,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyWNVDWSGWFDAEFV-MRXNPFEDSA-N
XLogP4.60
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-2-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]acetic acid
CID 166369066
2,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318306
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
CID 46178562
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 60520737
N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121329941
4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
CID 95786807
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 100779285

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318214) is 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is WNVDWSGWFDAEFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14-12-15(2)25-11-10-20(21(25)23-14)22(26)24-16(3)18-9-8-17-6-4-5-7-19(17)13-18/h4-13,16H,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.60, 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-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).