2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine

C14H16N4 — CID 62847762

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1cnc(CN2Cc3ccc(N)cc3C2)cn1
InChIInChI=1S/C14H16N4/c1-10-5-17-14(6-16-10)9-18-7-11-2-3-13(15)4-12(11)8-18/h2-6H,7-9,15H2,1H3
InChIKeyQJASTCZRDLAPBP-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.88
Rot. Bonds2

About 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine

2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 62847762) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID62847762
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1cnc(CN2Cc3ccc(N)cc3C2)cn1
InChIInChI=1S/C14H16N4/c1-10-5-17-14(6-16-10)9-18-7-11-2-3-13(15)4-12(11)8-18/h2-6H,7-9,15H2,1H3
InChIKeyQJASTCZRDLAPBP-UHFFFAOYSA-N
XLogP1.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-beta-carboline
CID 602830
N'-{4-[bis(2-chloroethyl)amino]-2-methylbenzylidene}-2-pyrazinecarbohydrazonamide
CID 9647790
I+/-,4-Dimethyl-1H-indole-1-ethanamine
CID 10487869
2H-Pyrido(3,4-b)indole, 1,2-dimethyl-
CID 184129
Omkmyqunlpdcnp-ydwxautnsa-
CID 50936651
(R)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 44441338
(S)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 44441339
N,N-dimethyl-4-(2-pyrazin-2-ylethenyl)aniline
CID 231739
1,5-dimethyl-9H-pyrido[3,4-b]indole
CID 44269406
4,7,8-Trimethylpyrrolo[1,2-a]quinoxaline
CID 90467291
9H-Pyrido(3,4-b)indolium, 1-methyl-2-(3-(trimethylammonio)propyl)-, dibromide
CID 114140
2-Methyl-1-(2-pyridylmethyl)indoline
CID 210103

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine (CID 62847762) is 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine is Cc1cnc(CN2Cc3ccc(N)cc3C2)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is QJASTCZRDLAPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-5-17-14(6-16-10)9-18-7-11-2-3-13(15)4-12(11)8-18/h2-6H,7-9,15H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 240.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 62847762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).